N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide

C13H21NO2S — CID 61362253

IUPACN-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-5-17(15,16)14(4)10-12-6-8-13(9-7-12)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyBMVKXABVANBOAF-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.59
Rot. Bonds5

About N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide

N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide (PubChem CID 61362253) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide
PubChem CID61362253
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-5-17(15,16)14(4)10-12-6-8-13(9-7-12)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyBMVKXABVANBOAF-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propane-1-sulfonamide
CID 79580904
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26034569
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
1-chloro-N-[(4-ethylphenyl)methyl]-N-methylmethanesulfonamide
CID 63663852
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]butanoic acid
CID 117042175
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728
N-[(4-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460051
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide (CID 61362253) is N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide is CCS(=O)(=O)N(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide?
The InChIKey is BMVKXABVANBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-17(15,16)14(4)10-12-6-8-13(9-7-12)11(2)3/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide?
N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 61362253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).