N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide

C16H30N4O3S2 — CID 119155385

IUPACN'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCCS(=O)(=O)N1CCSCC1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C16H30N4O3S2/c1-17-15(19-6-2-16(14-19)3-9-23-10-4-16)18-5-13-25(21,22)20-7-11-24-12-8-20/h2-14H2,1H3,(H,17,18)
InChIKeyUHNLVGKZXOYPHU-UHFFFAOYSA-N
MW390.58 g/mol
LogP0.44
Rot. Bonds4

About N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide

N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 119155385) has the molecular formula C16H30N4O3S2 and a molecular weight of 390.58 g/mol. Its IUPAC name is N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID119155385
Molecular FormulaC16H30N4O3S2
Molecular Weight390.58 g/mol
Exact Mass390.18
IUPAC NameN'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCCS(=O)(=O)N1CCSCC1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C16H30N4O3S2/c1-17-15(19-6-2-16(14-19)3-9-23-10-4-16)18-5-13-25(21,22)20-7-11-24-12-8-20/h2-14H2,1H3,(H,17,18)
InChIKeyUHNLVGKZXOYPHU-UHFFFAOYSA-N
XLogP0.44
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N',2,2,3,3-pentamethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azetidine-1-carboximidamide
CID 109451751
N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109490206
2-methyl-1-(oxan-4-ylmethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155543
N'-methyl-N-(2-prop-2-ynylsulfanylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119160824
N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145354
N',3-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide
CID 111145570
N'-methyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119156536
2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
CID 120792418
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733449
N-(2-ethylsulfonylethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740243
2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111833647
1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide
CID 119319776

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide (CID 119155385) is N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCCS(=O)(=O)N1CCSCC1)N1CCC2(CCOCC2)C1.
What is the InChIKey of N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is UHNLVGKZXOYPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3S2/c1-17-15(19-6-2-16(14-19)3-9-23-10-4-16)18-5-13-25(21,22)20-7-11-24-12-8-20/h2-14H2,1H3,(H,17,18).
What are the key properties of N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide?
N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 390.58 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 119155385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).