N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide

C11H18N2O2S — CID 63225180

IUPACN-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide
SMILESCC(CCN)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H18N2O2S/c1-10(8-9-12)13(2)16(14,15)11-6-4-3-5-7-11/h3-7,10H,8-9,12H2,1-2H3
InChIKeyDKYIBSNJEXUARY-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.04
Rot. Bonds5

About N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide

N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 63225180) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide
PubChem CID63225180
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide
SMILESCC(CCN)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H18N2O2S/c1-10(8-9-12)13(2)16(14,15)11-6-4-3-5-7-11/h3-7,10H,8-9,12H2,1-2H3
InChIKeyDKYIBSNJEXUARY-UHFFFAOYSA-N
XLogP1.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 112516561
4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
4-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112661692
N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
CID 69444505
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
[(2S)-2-[benzenesulfonyl(methyl)amino]-3-methylbutyl] methanesulfonate
CID 10830623
S-[(4R)-4-[methyl-(4-phenylsulfanylphenyl)sulfonylamino]pentyl] ethanethioate
CID 59983876
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide (CID 63225180) is N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide is CC(CCN)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is DKYIBSNJEXUARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-10(8-9-12)13(2)16(14,15)11-6-4-3-5-7-11/h3-7,10H,8-9,12H2,1-2H3.
What are the key properties of N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide?
N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 63225180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).