4-[2-(methylamino)pentan-3-yl]benzenesulfonamide

C12H20N2O2S — CID 55161438

IUPAC4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
SMILESCCC(c1ccc(S(N)(=O)=O)cc1)C(C)NC
InChIInChI=1S/C12H20N2O2S/c1-4-12(9(2)14-3)10-5-7-11(8-6-10)17(13,15)16/h5-9,12,14H,4H2,1-3H3,(H2,13,15,16)
InChIKeyKYLUGVBLMIPYGD-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.44
Rot. Bonds5

About 4-[2-(methylamino)pentan-3-yl]benzenesulfonamide

4-[2-(methylamino)pentan-3-yl]benzenesulfonamide (PubChem CID 55161438) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[2-(methylamino)pentan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
PubChem CID55161438
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
SMILESCCC(c1ccc(S(N)(=O)=O)cc1)C(C)NC
InChIInChI=1S/C12H20N2O2S/c1-4-12(9(2)14-3)10-5-7-11(8-6-10)17(13,15)16/h5-9,12,14H,4H2,1-3H3,(H2,13,15,16)
InChIKeyKYLUGVBLMIPYGD-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide
CID 55162014
N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
CID 63200532
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-pentan-2-ylbenzenesulfonamide
CID 134449965
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
4-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzenesulfonamide
CID 104980890
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
CID 115613409
6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide
CID 63200486
4-N-(2,2,3-trimethylbutyl)benzene-1,4-disulfonamide
CID 102609395
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)pentan-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(methylamino)pentan-3-yl]benzenesulfonamide (CID 55161438) is 4-[2-(methylamino)pentan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(methylamino)pentan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(methylamino)pentan-3-yl]benzenesulfonamide is CCC(c1ccc(S(N)(=O)=O)cc1)C(C)NC.
What is the InChIKey of 4-[2-(methylamino)pentan-3-yl]benzenesulfonamide?
The InChIKey is KYLUGVBLMIPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-12(9(2)14-3)10-5-7-11(8-6-10)17(13,15)16/h5-9,12,14H,4H2,1-3H3,(H2,13,15,16).
What are the key properties of 4-[2-(methylamino)pentan-3-yl]benzenesulfonamide?
4-[2-(methylamino)pentan-3-yl]benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)pentan-3-yl]benzenesulfonamide is sourced from PubChem (CID 55161438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).