1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide

C13H17N3O2S — CID 104982527

IUPAC1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)N[C@H]2CCCNC2)c1
InChIInChI=1S/C13H17N3O2S/c14-8-11-3-1-4-12(7-11)10-19(17,18)16-13-5-2-6-15-9-13/h1,3-4,7,13,15-16H,2,5-6,9-10H2/t13-/m0/s1
InChIKeyZSLIFQFOTXKAQV-ZDUSSCGKSA-N
MW279.36 g/mol
LogP0.73
Rot. Bonds4

About 1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide

1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide (PubChem CID 104982527) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide
PubChem CID104982527
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)N[C@H]2CCCNC2)c1
InChIInChI=1S/C13H17N3O2S/c14-8-11-3-1-4-12(7-11)10-19(17,18)16-13-5-2-6-15-9-13/h1,3-4,7,13,15-16H,2,5-6,9-10H2/t13-/m0/s1
InChIKeyZSLIFQFOTXKAQV-ZDUSSCGKSA-N
XLogP0.73
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide (CID 104982527) is 1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide is N#Cc1cccc(CS(=O)(=O)N[C@H]2CCCNC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide?
The InChIKey is ZSLIFQFOTXKAQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-8-11-3-1-4-12(7-11)10-19(17,18)16-13-5-2-6-15-9-13/h1,3-4,7,13,15-16H,2,5-6,9-10H2/t13-/m0/s1.
What are the key properties of 1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide?
1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[(3S)-piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 104982527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).