N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide

C16H27N3O2S — CID 99858304

IUPACN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide
SMILESCCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C16H27N3O2S/c1-4-18-8-10-19(11-9-18)15(3)13-17-22(20,21)16-7-5-6-14(2)12-16/h5-7,12,15,17H,4,8-11,13H2,1-3H3/t15-/m0/s1
InChIKeyIKPOWJCTMKDXBA-HNNXBMFYSA-N
MW325.48 g/mol
LogP1.30
Rot. Bonds6

About N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide

N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide (PubChem CID 99858304) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide
PubChem CID99858304
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide
SMILESCCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C16H27N3O2S/c1-4-18-8-10-19(11-9-18)15(3)13-17-22(20,21)16-7-5-6-14(2)12-16/h5-7,12,15,17H,4,8-11,13H2,1-3H3/t15-/m0/s1
InChIKeyIKPOWJCTMKDXBA-HNNXBMFYSA-N
XLogP1.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858315
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858314
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060484
N-(2-cyanopropyl)-3-methylbenzenesulfonamide
CID 62651128
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 99831960
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 99857417
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylsulfonylaniline
CID 71978131

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide (CID 99858304) is N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide is CCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide?
The InChIKey is IKPOWJCTMKDXBA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-18-8-10-19(11-9-18)15(3)13-17-22(20,21)16-7-5-6-14(2)12-16/h5-7,12,15,17H,4,8-11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide?
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide has a molecular weight of 325.48 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 99858304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).