1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide

C12H22N2O3S — CID 63921726

IUPAC1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NC2CCCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C12H22N2O3S/c13-9-12(5-1-2-6-12)11(15)14-10-4-3-7-18(16,17)8-10/h10H,1-9,13H2,(H,14,15)
InChIKeyZHOCRGBXIXJECB-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.20
Rot. Bonds3

About 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide (PubChem CID 63921726) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide
PubChem CID63921726
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NC2CCCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C12H22N2O3S/c13-9-12(5-1-2-6-12)11(15)14-10-4-3-7-18(16,17)8-10/h10H,1-9,13H2,(H,14,15)
InChIKeyZHOCRGBXIXJECB-UHFFFAOYSA-N
XLogP0.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-(1,1-dioxothian-3-yl)acetamide
CID 81168499
N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide
CID 63924517
1-amino-N-(1,1-dioxothian-3-yl)-3-methylcyclohexane-1-carboxamide
CID 64554877
1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide
CID 115443799
N-(1,1-dioxothian-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80594289
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
CID 64732102
1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 115437435
(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369661
(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369662
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 104677414

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide (CID 63921726) is 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide is NCC1(C(=O)NC2CCCS(=O)(=O)C2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide?
The InChIKey is ZHOCRGBXIXJECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c13-9-12(5-1-2-6-12)11(15)14-10-4-3-7-18(16,17)8-10/h10H,1-9,13H2,(H,14,15).
What are the key properties of 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 63921726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).