N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine

C18H22N2O2S — CID 97323503

IUPACN-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine
SMILESC[C@H](Nc1cccnc1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14(20-16-5-4-12-19-13-16)15-8-10-18(11-9-15)23(21,22)17-6-2-3-7-17/h4-5,8-14,17,20H,2-3,6-7H2,1H3/t14-/m0/s1
InChIKeyZAGBGQRCSIOPAF-AWEZNQCLSA-N
MW330.45 g/mol
LogP3.97
Rot. Bonds5

About N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine

N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine (PubChem CID 97323503) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine
PubChem CID97323503
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine
SMILESC[C@H](Nc1cccnc1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14(20-16-5-4-12-19-13-16)15-8-10-18(11-9-15)23(21,22)17-6-2-3-7-17/h4-5,8-14,17,20H,2-3,6-7H2,1H3/t14-/m0/s1
InChIKeyZAGBGQRCSIOPAF-AWEZNQCLSA-N
XLogP3.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine?
The IUPAC name of N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine (CID 97323503) is N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine?
The canonical SMILES for N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine is C[C@H](Nc1cccnc1)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine?
The InChIKey is ZAGBGQRCSIOPAF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14(20-16-5-4-12-19-13-16)15-8-10-18(11-9-15)23(21,22)17-6-2-3-7-17/h4-5,8-14,17,20H,2-3,6-7H2,1H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine?
N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine has a molecular weight of 330.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 97323503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).