3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid

C15H25NO2S — CID 79653391

IUPAC3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(SC2CCCCC2)C1
InChIInChI=1S/C15H25NO2S/c17-14(18)15(16-11-6-7-11)9-8-13(10-15)19-12-4-2-1-3-5-12/h11-13,16H,1-10H2,(H,17,18)
InChIKeyBLQRWQWADFMZCH-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.18
Rot. Bonds5

About 3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid

3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid (PubChem CID 79653391) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
PubChem CID79653391
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(SC2CCCCC2)C1
InChIInChI=1S/C15H25NO2S/c17-14(18)15(16-11-6-7-11)9-8-13(10-15)19-12-4-2-1-3-5-12/h11-13,16H,1-10H2,(H,17,18)
InChIKeyBLQRWQWADFMZCH-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentylsulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654044
methyl 3-cyclopentylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79653491
3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79653885
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
CID 79649865
3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79645904
1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid
CID 64624848
3-(4-bromophenyl)sulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653433
3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653549
1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 79633892
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79647676
1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63449213

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid (CID 79653391) is 3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCC(SC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The InChIKey is BLQRWQWADFMZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c17-14(18)15(16-11-6-7-11)9-8-13(10-15)19-12-4-2-1-3-5-12/h11-13,16H,1-10H2,(H,17,18).
What are the key properties of 3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid has a molecular weight of 283.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79653391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).