2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide

C12H22N2O3S — CID 60847953

IUPAC2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide
SMILESO=C(CNC1CCCC1)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H22N2O3S/c15-12(9-13-10-3-1-2-4-10)14-11-5-7-18(16,17)8-6-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyTYFGGUKOFKBRBL-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.21
Rot. Bonds4

About 2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide

2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide (PubChem CID 60847953) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide
PubChem CID60847953
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide
SMILESO=C(CNC1CCCC1)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H22N2O3S/c15-12(9-13-10-3-1-2-4-10)14-11-5-7-18(16,17)8-6-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyTYFGGUKOFKBRBL-UHFFFAOYSA-N
XLogP0.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 55024086
N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 43179464
N-cyclohexyl-2-[(1,1-dioxothian-3-yl)amino]acetamide
CID 63921753
N-cyclohexyl-2-(thian-4-ylamino)acetamide
CID 115621808
N-(2-chloroprop-2-enyl)-1,1-dioxothian-4-amine
CID 60871661
2-[(1,1-dioxothian-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961742
2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54962256
2-(cyclopropylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 60842326
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
2-(cyclopentylamino)-N-(3-methylcyclopentyl)acetamide
CID 114546089
N-cycloheptyl-2-(oxolan-3-ylamino)acetamide
CID 80714047
N-cyclopropyl-2-[(4,4-dimethylcycloheptyl)amino]acetamide
CID 65084569

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide (CID 60847953) is 2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide is O=C(CNC1CCCC1)NC1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide?
The InChIKey is TYFGGUKOFKBRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c15-12(9-13-10-3-1-2-4-10)14-11-5-7-18(16,17)8-6-11/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of 2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide?
2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide has a molecular weight of 274.39 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide is sourced from PubChem (CID 60847953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).