3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide

C17H29N3O2S — CID 94249189

IUPAC3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1
InChIInChI=1S/C17H29N3O2S/c1-14(2)17(20-10-8-19(4)9-11-20)13-18-23(21,22)16-7-5-6-15(3)12-16/h5-7,12,14,17-18H,8-11,13H2,1-4H3/t17-/m1/s1
InChIKeyKOBNJVYMQMNZIB-QGZVFWFLSA-N
MW339.50 g/mol
LogP1.55
Rot. Bonds6

About 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide

3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide (PubChem CID 94249189) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
PubChem CID94249189
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC Name3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1
InChIInChI=1S/C17H29N3O2S/c1-14(2)17(20-10-8-19(4)9-11-20)13-18-23(21,22)16-7-5-6-15(3)12-16/h5-7,12,14,17-18H,8-11,13H2,1-4H3/t17-/m1/s1
InChIKeyKOBNJVYMQMNZIB-QGZVFWFLSA-N
XLogP1.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403191
3-chloro-4-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403190
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide
CID 99858304
4-chloro-3-cyano-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 60531244
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide
CID 56685915
3-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 60760102
2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide
CID 78878039
3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402958
3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403737
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide (CID 94249189) is 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1.
What is the InChIKey of 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The InChIKey is KOBNJVYMQMNZIB-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-14(2)17(20-10-8-19(4)9-11-20)13-18-23(21,22)16-7-5-6-15(3)12-16/h5-7,12,14,17-18H,8-11,13H2,1-4H3/t17-/m1/s1.
What are the key properties of 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide has a molecular weight of 339.50 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 94249189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).