N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C14H23N5O4S — CID 49320695

IUPACN-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)NC(C)C(N)=O)CC2)cn1C
InChIInChI=1S/C14H23N5O4S/c1-9(13(15)20)16-14(21)11-4-6-19(7-5-11)24(22,23)12-8-18(3)10(2)17-12/h8-9,11H,4-7H2,1-3H3,(H2,15,20)(H,16,21)
InChIKeyBVSOENFXLDLFEM-UHFFFAOYSA-N
MW357.44 g/mol
LogP-0.88
Rot. Bonds5

About N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 49320695) has the molecular formula C14H23N5O4S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID49320695
Molecular FormulaC14H23N5O4S
Molecular Weight357.44 g/mol
Exact Mass357.15
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)NC(C)C(N)=O)CC2)cn1C
InChIInChI=1S/C14H23N5O4S/c1-9(13(15)20)16-14(21)11-4-6-19(7-5-11)24(22,23)12-8-18(3)10(2)17-12/h8-9,11H,4-7H2,1-3H3,(H2,15,20)(H,16,21)
InChIKeyBVSOENFXLDLFEM-UHFFFAOYSA-N
XLogP-0.88
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 49320695) is N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is Cc1nc(S(=O)(=O)N2CCC(C(=O)NC(C)C(N)=O)CC2)cn1C.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BVSOENFXLDLFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4S/c1-9(13(15)20)16-14(21)11-4-6-19(7-5-11)24(22,23)12-8-18(3)10(2)17-12/h8-9,11H,4-7H2,1-3H3,(H2,15,20)(H,16,21).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 49320695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).