1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide

C13H20N2OS2 — CID 79653438

IUPAC1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(Sc2cccs2)C1
InChIInChI=1S/C13H20N2OS2/c1-9(2)15-13(12(14)16)6-5-10(8-13)18-11-4-3-7-17-11/h3-4,7,9-10,15H,5-6,8H2,1-2H3,(H2,14,16)
InChIKeyNKWUMLZRSQGJBC-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.61
Rot. Bonds5

About 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide

1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide (PubChem CID 79653438) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide
PubChem CID79653438
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(Sc2cccs2)C1
InChIInChI=1S/C13H20N2OS2/c1-9(2)15-13(12(14)16)6-5-10(8-13)18-11-4-3-7-17-11/h3-4,7,9-10,15H,5-6,8H2,1-2H3,(H2,14,16)
InChIKeyNKWUMLZRSQGJBC-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-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

1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide
CID 79654622
3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654347
[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol
CID 79640772
1-(propylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxylic acid
CID 79653828
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653797
1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
CID 79635325
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
methyl 3-(3-methylphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79645969
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649025
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 65085259
3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79654294

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide (CID 79653438) is 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide is CC(C)NC1(C(N)=O)CCC(Sc2cccs2)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide?
The InChIKey is NKWUMLZRSQGJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-9(2)15-13(12(14)16)6-5-10(8-13)18-11-4-3-7-17-11/h3-4,7,9-10,15H,5-6,8H2,1-2H3,(H2,14,16).
What are the key properties of 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide?
1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide has a molecular weight of 284.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 79653438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).