2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide

C13H26N2OS — CID 112659221

IUPAC2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
SMILESCCC(CSC)N(C)C(=O)C1(C)CCCC1N
InChIInChI=1S/C13H26N2OS/c1-5-10(9-17-4)15(3)12(16)13(2)8-6-7-11(13)14/h10-11H,5-9,14H2,1-4H3
InChIKeyLDNDQAQBTVOLAS-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.10
Rot. Bonds5

About 2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide

2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide (PubChem CID 112659221) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
PubChem CID112659221
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
SMILESCCC(CSC)N(C)C(=O)C1(C)CCCC1N
InChIInChI=1S/C13H26N2OS/c1-5-10(9-17-4)15(3)12(16)13(2)8-6-7-11(13)14/h10-11H,5-9,14H2,1-4H3
InChIKeyLDNDQAQBTVOLAS-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,1-dimethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 82764782
1-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide
CID 112659192
2-amino-N-cyclohexyl-N-ethyl-1-methylcyclopentane-1-carboxamide
CID 82765419
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 112659082
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
CID 103955283
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
2-amino-1-methyl-N,N-dipentylcyclopentane-1-carboxamide
CID 82763489
1-carbamothioyl-N,3-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclobutane-1-carboxamide
CID 112659640
2-amino-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)cyclopentane-1-carboxamide
CID 82765752
2-amino-N-(4-ethylcyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide
CID 82765636
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopentane-1-carboxamide
CID 82764402
ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate
CID 82764089

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide (CID 112659221) is 2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide is CCC(CSC)N(C)C(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is LDNDQAQBTVOLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-5-10(9-17-4)15(3)12(16)13(2)8-6-7-11(13)14/h10-11H,5-9,14H2,1-4H3.
What are the key properties of 2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide?
2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,1-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 112659221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).