N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide

C18H25N7O4S — CID 154578786

IUPACN-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC3(C2)Cn2nnc(CNC(=O)C4CC4)c2CO3)c1
InChIInChI=1S/C18H25N7O4S/c1-23-8-16(20-12-23)30(27,28)24-6-2-5-18(10-24)11-25-15(9-29-18)14(21-22-25)7-19-17(26)13-3-4-13/h8,12-13H,2-7,9-11H2,1H3,(H,19,26)
InChIKeySDWRUWPYVKPGHR-UHFFFAOYSA-N
MW435.51 g/mol
LogP-0.21
Rot. Bonds5

About N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide

N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 154578786) has the molecular formula C18H25N7O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide
PubChem CID154578786
Molecular FormulaC18H25N7O4S
Molecular Weight435.51 g/mol
Exact Mass435.17
IUPAC NameN-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC3(C2)Cn2nnc(CNC(=O)C4CC4)c2CO3)c1
InChIInChI=1S/C18H25N7O4S/c1-23-8-16(20-12-23)30(27,28)24-6-2-5-18(10-24)11-25-15(9-29-18)14(21-22-25)7-19-17(26)13-3-4-13/h8,12-13H,2-7,9-11H2,1H3,(H,19,26)
InChIKeySDWRUWPYVKPGHR-UHFFFAOYSA-N
XLogP-0.21
TPSA124.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1'-methylsulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl)methyl]oxane-4-carboxamide
CID 146067574
N-[[1'-(3-methylbutanoyl)spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]oxane-4-carboxamide
CID 155881400
N-[[1'-(1-ethylpyrazole-4-carbonyl)spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide
CID 146067571
N-[[1'-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide
CID 146067438
2-methyl-N-[(1'-pyridin-3-ylsulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl)methyl]propanamide
CID 146067474
N-[[1'-[(2-chlorophenyl)methyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]oxane-4-carboxamide
CID 146067553
N-[(1'-cyclopropylsulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl)methyl]-3-methylbenzamide
CID 146067483
(3S,5S)-3-ethoxy-9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[4.5]decane
CID 97419673
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-ol
CID 113343875
N-[[1'-(benzenesulfonyl)spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]-3-methylbenzamide
CID 146067507
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 110258940
N-cycloheptyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085415

Frequently Asked Questions

What is the IUPAC name of N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide (CID 154578786) is N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide is Cn1cnc(S(=O)(=O)N2CCCC3(C2)Cn2nnc(CNC(=O)C4CC4)c2CO3)c1.
What is the InChIKey of N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is SDWRUWPYVKPGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O4S/c1-23-8-16(20-12-23)30(27,28)24-6-2-5-18(10-24)11-25-15(9-29-18)14(21-22-25)7-19-17(26)13-3-4-13/h8,12-13H,2-7,9-11H2,1H3,(H,19,26).
What are the key properties of N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide?
N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 435.51 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1'-(1-methylimidazol-4-yl)sulfonylspiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-piperidine]-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 154578786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).