N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine

C11H17NO2S — CID 117036397

IUPACN-[(3-methylphenyl)sulfonylmethyl]propan-2-amine
SMILESCc1cccc(S(=O)(=O)CNC(C)C)c1
InChIInChI=1S/C11H17NO2S/c1-9(2)12-8-15(13,14)11-6-4-5-10(3)7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyIIWKRMGHSVZVML-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.72
Rot. Bonds4

About N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine

N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine (PubChem CID 117036397) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)sulfonylmethyl]propan-2-amine
PubChem CID117036397
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-[(3-methylphenyl)sulfonylmethyl]propan-2-amine
SMILESCc1cccc(S(=O)(=O)CNC(C)C)c1
InChIInChI=1S/C11H17NO2S/c1-9(2)12-8-15(13,14)11-6-4-5-10(3)7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyIIWKRMGHSVZVML-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine 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-(3-methylphenyl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 64675077
(3-methylphenyl)sulfonylazanide
CID 158627668
1-(2,2-dimethoxyethylsulfonyl)-3-methylbenzene
CID 66222400
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
1-methyl-3-prop-2-ynylsulfonylbenzene
CID 82368810
1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol
CID 79022604
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-3-methylbenzene
CID 64758113
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
sodium 3-methylbenzenesulfonate
CID 23684709
N-(2-cyanopropyl)-3-methylbenzenesulfonamide
CID 62651128
1-(2-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585310
1-(3-chloropropylsulfonyl)-3-methylbenzene
CID 21272204

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine?
The IUPAC name of N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine (CID 117036397) is N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine.
What is the SMILES notation for N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine?
The canonical SMILES for N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine is Cc1cccc(S(=O)(=O)CNC(C)C)c1.
What is the InChIKey of N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine?
The InChIKey is IIWKRMGHSVZVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(2)12-8-15(13,14)11-6-4-5-10(3)7-11/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine?
N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine has a molecular weight of 227.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine is sourced from PubChem (CID 117036397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).