3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide

C14H26N2OS — CID 79653549

IUPAC3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(SC2CCCCC2)C1
InChIInChI=1S/C14H26N2OS/c1-2-16-14(13(15)17)9-8-12(10-14)18-11-6-4-3-5-7-11/h11-12,16H,2-10H2,1H3,(H2,15,17)
InChIKeyIKNMBQABASELSG-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.44
Rot. Bonds5

About 3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide

3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide (PubChem CID 79653549) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
PubChem CID79653549
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(SC2CCCCC2)C1
InChIInChI=1S/C14H26N2OS/c1-2-16-14(13(15)17)9-8-12(10-14)18-11-6-4-3-5-7-11/h11-12,16H,2-10H2,1H3,(H2,15,17)
InChIKeyIKNMBQABASELSG-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxamide
CID 79653484
3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79653885
1-(ethylamino)-3-propylsulfanylcyclohexane-1-carboxamide
CID 79637143
1-(ethylamino)-3-hydroxycyclopentane-1-carboxamide
CID 164648441
1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide
CID 79634497
3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654044
1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
CID 79635146
3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79654294
3-(dipropylamino)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650183
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
3-[bis(cyclopropylmethyl)amino]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650869
ethyl 1-(ethylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634825

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide (CID 79653549) is 3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(SC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide?
The InChIKey is IKNMBQABASELSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-16-14(13(15)17)9-8-12(10-14)18-11-6-4-3-5-7-11/h11-12,16H,2-10H2,1H3,(H2,15,17).
What are the key properties of 3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide?
3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79653549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).