N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide

C12H19NO2S — CID 47372753

IUPACN-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)Cc1ccccc1C
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)13-11(3)9-12-8-6-5-7-10(12)2/h5-8,11,13H,4,9H2,1-3H3
InChIKeyRKLPARYEGHBCMK-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.87
Rot. Bonds5

About N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide

N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide (PubChem CID 47372753) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide
PubChem CID47372753
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)Cc1ccccc1C
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)13-11(3)9-12-8-6-5-7-10(12)2/h5-8,11,13H,4,9H2,1-3H3
InChIKeyRKLPARYEGHBCMK-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
CID 47070223
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide
CID 61068595
N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide
CID 47071877
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
2-bromo-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 62854671
N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine
CID 113422155
3-(ethylamino)-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 62851503
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570
ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide
CID 160662868
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide (CID 47372753) is N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide is CCS(=O)(=O)NC(C)Cc1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide?
The InChIKey is RKLPARYEGHBCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-16(14,15)13-11(3)9-12-8-6-5-7-10(12)2/h5-8,11,13H,4,9H2,1-3H3.
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide?
N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide is sourced from PubChem (CID 47372753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).