3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide

C13H24N2OS — CID 79653743

IUPAC3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide
SMILESCCCCSC1CCC(NC2CC2)(C(N)=O)C1
InChIInChI=1S/C13H24N2OS/c1-2-3-8-17-11-6-7-13(9-11,12(14)16)15-10-4-5-10/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyCSPGGRUTYNXIJO-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.05
Rot. Bonds7

About 3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide

3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide (PubChem CID 79653743) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide
PubChem CID79653743
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide
SMILESCCCCSC1CCC(NC2CC2)(C(N)=O)C1
InChIInChI=1S/C13H24N2OS/c1-2-3-8-17-11-6-7-13(9-11,12(14)16)15-10-4-5-10/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyCSPGGRUTYNXIJO-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide
CID 107755473
1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxamide
CID 79635892
1-(cyclopropylamino)-3-methylcyclopentane-1-carboxamide
CID 64513100
1-(ethylamino)-3-propylsulfanylcyclohexane-1-carboxamide
CID 79637143
ethyl 1-(ethylamino)-3-pentylsulfanylcyclopentane-1-carboxylate
CID 107755552
1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646385
3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79636571
methyl 1-(cyclopropylamino)-3-(3-methoxypropylsulfanyl)cyclohexane-1-carboxylate
CID 79634851
1-(cyclopropylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79647898
ethyl 3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79646486
1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclopentane-1-carboxamide
CID 79655102
3-[cyclopentyl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79655119

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide (CID 79653743) is 3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide is CCCCSC1CCC(NC2CC2)(C(N)=O)C1.
What is the InChIKey of 3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The InChIKey is CSPGGRUTYNXIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-2-3-8-17-11-6-7-13(9-11,12(14)16)15-10-4-5-10/h10-11,15H,2-9H2,1H3,(H2,14,16).
What are the key properties of 3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide?
3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79653743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).