N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide

C17H25N3O2S — CID 177223077

IUPACN-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide
SMILESCCCc1cc(CNS(=O)(=O)N2CCC(C)CC2)ccc1C#N
InChIInChI=1S/C17H25N3O2S/c1-3-4-16-11-15(5-6-17(16)12-18)13-19-23(21,22)20-9-7-14(2)8-10-20/h5-6,11,14,19H,3-4,7-10,13H2,1-2H3
InChIKeyCXHRRVHGIPLQPC-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.58
Rot. Bonds6

About N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide

N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 177223077) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide
PubChem CID177223077
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide
SMILESCCCc1cc(CNS(=O)(=O)N2CCC(C)CC2)ccc1C#N
InChIInChI=1S/C17H25N3O2S/c1-3-4-16-11-15(5-6-17(16)12-18)13-19-23(21,22)20-9-7-14(2)8-10-20/h5-6,11,14,19H,3-4,7-10,13H2,1-2H3
InChIKeyCXHRRVHGIPLQPC-UHFFFAOYSA-N
XLogP2.58
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide (CID 177223077) is N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide is CCCc1cc(CNS(=O)(=O)N2CCC(C)CC2)ccc1C#N.
What is the InChIKey of N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is CXHRRVHGIPLQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-3-4-16-11-15(5-6-17(16)12-18)13-19-23(21,22)20-9-7-14(2)8-10-20/h5-6,11,14,19H,3-4,7-10,13H2,1-2H3.
What are the key properties of N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide?
N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 177223077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).