1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide

C11H22N2OS — CID 107756277

IUPAC1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide
SMILESCC(C)CCSC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C11H22N2OS/c1-8(2)4-6-15-9-3-5-11(13,7-9)10(12)14/h8-9H,3-7,13H2,1-2H3,(H2,12,14)
InChIKeyKMQWGVWYXZDXBA-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.50
Rot. Bonds5

About 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide

1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide (PubChem CID 107756277) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide
PubChem CID107756277
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide
SMILESCC(C)CCSC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C11H22N2OS/c1-8(2)4-6-15-9-3-5-11(13,7-9)10(12)14/h8-9H,3-7,13H2,1-2H3,(H2,12,14)
InChIKeyKMQWGVWYXZDXBA-UHFFFAOYSA-N
XLogP1.50
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate
CID 107756279
1-(methylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid
CID 107756199
1-amino-3-(2-methylpropylsulfanyl)cyclopentane-1-carboxylic acid
CID 79654513
1-amino-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylcyclohexane-1-carboxamide
CID 114234462
1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
CID 79638267
methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate
CID 107756300
ethyl 3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentane-1-carboxylate
CID 107756248
1-amino-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649570
3-(3-methylbutylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 107755118
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 107764868
[1-(cyclopropylamino)-3-(3-methylbutylsulfanyl)cyclohexyl]methanol
CID 107764890

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide (CID 107756277) is 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide is CC(C)CCSC1CCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide?
The InChIKey is KMQWGVWYXZDXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8(2)4-6-15-9-3-5-11(13,7-9)10(12)14/h8-9H,3-7,13H2,1-2H3,(H2,12,14).
What are the key properties of 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide?
1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107756277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).