1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid

C14H18N2O2S — CID 79654393

IUPAC1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(Sc2ccccn2)C1
InChIInChI=1S/C14H18N2O2S/c17-13(18)14(16-10-4-5-10)7-6-11(9-14)19-12-3-1-2-8-15-12/h1-3,8,10-11,16H,4-7,9H2,(H,17,18)
InChIKeyPZUZXMKDORGYMF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.30
Rot. Bonds5

About 1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid (PubChem CID 79654393) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid
PubChem CID79654393
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(Sc2ccccn2)C1
InChIInChI=1S/C14H18N2O2S/c17-13(18)14(16-10-4-5-10)7-6-11(9-14)19-12-3-1-2-8-15-12/h1-3,8,10-11,16H,4-7,9H2,(H,17,18)
InChIKeyPZUZXMKDORGYMF-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide
CID 79654317
methyl 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654086
1-(cyclopropylamino)-3-(2-fluorophenyl)sulfanylcyclopentane-1-carboxylic acid
CID 79653844
3-(4-bromophenyl)sulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653433
ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654009
1-(cyclopropylamino)-3-(2,4-dimethylphenyl)sulfanylcyclopentane-1-carboxylic acid
CID 79645241
1-(cyclopropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 115383599
3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653391
methyl 1-(methylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654095
3-[(4-chlorophenyl)methylsulfanyl]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 114791652
2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60795603
methyl 1-(methylamino)-3-pyrimidin-4-ylsulfanylcyclohexane-1-carboxylate
CID 79633907

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid (CID 79654393) is 1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCC(Sc2ccccn2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid?
The InChIKey is PZUZXMKDORGYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13(18)14(16-10-4-5-10)7-6-11(9-14)19-12-3-1-2-8-15-12/h1-3,8,10-11,16H,4-7,9H2,(H,17,18).
What are the key properties of 1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid has a molecular weight of 278.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 79654393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).