2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide

C17H28N2O2S — CID 95190119

IUPAC2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C17H28N2O2S/c1-14(2)19-12-6-8-16(13-19)10-11-18-22(20,21)17-9-5-4-7-15(17)3/h4-5,7,9,14,16,18H,6,8,10-13H2,1-3H3/t16-/m1/s1
InChIKeyYDJXWCVXUCEJDU-MRXNPFEDSA-N
MW324.49 g/mol
LogP2.78
Rot. Bonds6

About 2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide

2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide (PubChem CID 95190119) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide
PubChem CID95190119
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C17H28N2O2S/c1-14(2)19-12-6-8-16(13-19)10-11-18-22(20,21)17-9-5-4-7-15(17)3/h4-5,7,9,14,16,18H,6,8,10-13H2,1-3H3/t16-/m1/s1
InChIKeyYDJXWCVXUCEJDU-MRXNPFEDSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide
CID 56746179
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
5-bromo-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207007
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62158541
N-[2-[(3S)-1-ethylpiperidin-3-yl]ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 95229855
3-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65071978
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide (CID 95190119) is 2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC[C@H]1CCCN(C(C)C)C1.
What is the InChIKey of 2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is YDJXWCVXUCEJDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-14(2)19-12-6-8-16(13-19)10-11-18-22(20,21)17-9-5-4-7-15(17)3/h4-5,7,9,14,16,18H,6,8,10-13H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide?
2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 95190119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).