2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide

C16H28N2OS — CID 79582214

IUPAC2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC1CCSC1CCCC1
InChIInChI=1S/C16H28N2OS/c17-15(19)16(18-13-7-8-13)10-3-4-12(16)9-11-20-14-5-1-2-6-14/h12-14,18H,1-11H2,(H2,17,19)
InChIKeyIFMSJOFDTWDVBR-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.83
Rot. Bonds7

About 2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide

2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide (PubChem CID 79582214) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
PubChem CID79582214
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCCC1CCSC1CCCC1
InChIInChI=1S/C16H28N2OS/c17-15(19)16(18-13-7-8-13)10-3-4-12(16)9-11-20-14-5-1-2-6-14/h12-14,18H,1-11H2,(H2,17,19)
InChIKeyIFMSJOFDTWDVBR-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79556952
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
methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
CID 79588054
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
1-(methylamino)-2-[2-(oxetan-3-ylsulfanyl)ethyl]cyclopentane-1-carboxylic acid
CID 79582619
2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide
CID 79588009
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79582927
1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587817
1-(ethylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 107755374

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide (CID 79582214) is 2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide is NC(=O)C1(NC2CC2)CCCC1CCSC1CCCC1.
What is the InChIKey of 2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide?
The InChIKey is IFMSJOFDTWDVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c17-15(19)16(18-13-7-8-13)10-3-4-12(16)9-11-20-14-5-1-2-6-14/h12-14,18H,1-11H2,(H2,17,19).
What are the key properties of 2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide?
2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide has a molecular weight of 296.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylsulfanylethyl)-1-(cyclopropylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79582214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).