2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide

C17H30N2OS — CID 79556952

IUPAC2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC1CCSCC1CCCC1
InChIInChI=1S/C17H30N2OS/c18-16(20)17(19-15-7-8-15)10-3-6-14(17)9-11-21-12-13-4-1-2-5-13/h13-15,19H,1-12H2,(H2,18,20)
InChIKeyBFRXZPRNADYVHM-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.08
Rot. Bonds8

About 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide

2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide (PubChem CID 79556952) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide
PubChem CID79556952
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC1CCSCC1CCCC1
InChIInChI=1S/C17H30N2OS/c18-16(20)17(19-15-7-8-15)10-3-6-14(17)9-11-21-12-13-4-1-2-5-13/h13-15,19H,1-12H2,(H2,18,20)
InChIKeyBFRXZPRNADYVHM-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.08
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

2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79582214
2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79582767
2-(2-cyclobutyloxyethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79587218
1-(cyclopropylamino)-2-[2-(dipropylamino)ethyl]cyclopentane-1-carboxamide
CID 79577589
1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide
CID 107781838
2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide
CID 79588009
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79582927
methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
CID 79588054
methyl 1-(cyclopropylamino)-2-[2-(2,3-dihydroxypropylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79671934
1-(cyclopropylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79587823
1-(cyclopropylamino)-2-[2-[ethyl(2-methoxyethyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79565485
methyl 1-(cyclopropylamino)-2-[2-(3-hydroxy-2-methylpropyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79555486

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide (CID 79556952) is 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide is NC(=O)C1(NC2CC2)CCCC1CCSCC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The InChIKey is BFRXZPRNADYVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c18-16(20)17(19-15-7-8-15)10-3-6-14(17)9-11-21-12-13-4-1-2-5-13/h13-15,19H,1-12H2,(H2,18,20).
What are the key properties of 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide?
2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide has a molecular weight of 310.51 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79556952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).