(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide

C16H26N2O3S — CID 98672552

IUPAC(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccccc1[C@@H](C)N(C)S(=O)(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C16H26N2O3S/c1-13-8-7-11-18(12-13)22(19,20)17(3)14(2)15-9-5-6-10-16(15)21-4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3/t13-,14+/m0/s1
InChIKeyMXWKXHBFGQYIMB-UONOGXRCSA-N
MW326.46 g/mol
LogP2.66
Rot. Bonds5

About (3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide

(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 98672552) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID98672552
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccccc1[C@@H](C)N(C)S(=O)(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C16H26N2O3S/c1-13-8-7-11-18(12-13)22(19,20)17(3)14(2)15-9-5-6-10-16(15)21-4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3/t13-,14+/m0/s1
InChIKeyMXWKXHBFGQYIMB-UONOGXRCSA-N
XLogP2.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide (CID 98672552) is (3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide is COc1ccccc1[C@@H](C)N(C)S(=O)(=O)N1CCC[C@H](C)C1.
What is the InChIKey of (3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is MXWKXHBFGQYIMB-UONOGXRCSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-8-7-11-18(12-13)22(19,20)17(3)14(2)15-9-5-6-10-16(15)21-4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of (3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 98672552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).