2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide

C16H28N2O3S — CID 95313255

IUPAC2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
SMILESO=C(CC1CCCCC1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1
InChIInChI=1S/C16H28N2O3S/c19-16(10-13-6-2-1-3-7-13)17-14-11-22(20,21)12-15(14)18-8-4-5-9-18/h13-15H,1-12H2,(H,17,19)/t14-,15-/m1/s1
InChIKeyCYYPIOMPVRAVGK-HUUCEWRRSA-N
MW328.48 g/mol
LogP1.33
Rot. Bonds4

About 2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide

2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide (PubChem CID 95313255) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
PubChem CID95313255
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
SMILESO=C(CC1CCCCC1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1
InChIInChI=1S/C16H28N2O3S/c19-16(10-13-6-2-1-3-7-13)17-14-11-22(20,21)12-15(14)18-8-4-5-9-18/h13-15H,1-12H2,(H,17,19)/t14-,15-/m1/s1
InChIKeyCYYPIOMPVRAVGK-HUUCEWRRSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide
CID 97216677
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide
CID 95281956
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-cyclobutylacetamide
CID 103164394
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3-methylbut-2-enamide
CID 95333224
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide
CID 99976964
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
CID 97017849
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide
CID 97018062
(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 124729767
N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide
CID 99975528
2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 62781293
N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3-thiophen-3-ylpropanamide
CID 95321388

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide (CID 95313255) is 2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide is O=C(CC1CCCCC1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1.
What is the InChIKey of 2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide?
The InChIKey is CYYPIOMPVRAVGK-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H28N2O3S/c19-16(10-13-6-2-1-3-7-13)17-14-11-22(20,21)12-15(14)18-8-4-5-9-18/h13-15H,1-12H2,(H,17,19)/t14-,15-/m1/s1.
What are the key properties of 2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide?
2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide has a molecular weight of 328.48 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide is sourced from PubChem (CID 95313255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).