N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide

C13H22N2O2S — CID 120824992

IUPACN-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cccc(C(C)C)c1
InChIInChI=1S/C13H22N2O2S/c1-10(2)12-6-5-7-13(8-12)18(16,17)15-9-11(3)14-4/h5-8,10-11,14-15H,9H2,1-4H3
InChIKeyCJENGFZHEFOAJZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.70
Rot. Bonds6

About N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide

N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide (PubChem CID 120824992) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
PubChem CID120824992
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cccc(C(C)C)c1
InChIInChI=1S/C13H22N2O2S/c1-10(2)12-6-5-7-13(8-12)18(16,17)15-9-11(3)14-4/h5-8,10-11,14-15H,9H2,1-4H3
InChIKeyCJENGFZHEFOAJZ-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120664627
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
3-[1-(methylamino)ethyl]-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142320
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824465
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
N-[2-(4-aminophenyl)ethyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120715784
3-(methylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 119028425
3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 11978755
3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83143695
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide (CID 120824992) is N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide is CNC(C)CNS(=O)(=O)c1cccc(C(C)C)c1.
What is the InChIKey of N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide?
The InChIKey is CJENGFZHEFOAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(2)12-6-5-7-13(8-12)18(16,17)15-9-11(3)14-4/h5-8,10-11,14-15H,9H2,1-4H3.
What are the key properties of N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide?
N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 120824992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).