N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide

C11H17NO2S — CID 3329133

IUPACN-[(2-propan-2-ylphenyl)methyl]methanesulfonamide
SMILESCC(C)c1ccccc1CNS(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-9(2)11-7-5-4-6-10(11)8-12-15(3,13)14/h4-7,9,12H,8H2,1-3H3
InChIKeyRQVAHCYUDWGZAG-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.86
Rot. Bonds4

About N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide

N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide (PubChem CID 3329133) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-propan-2-ylphenyl)methyl]methanesulfonamide
PubChem CID3329133
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-[(2-propan-2-ylphenyl)methyl]methanesulfonamide
SMILESCC(C)c1ccccc1CNS(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-9(2)11-7-5-4-6-10(11)8-12-15(3,13)14/h4-7,9,12H,8H2,1-3H3
InChIKeyRQVAHCYUDWGZAG-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543
N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286
N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110671509
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
N-hydroxy-2-(2-propan-2-ylphenyl)acetamide
CID 142619078
2-(methanesulfonamidomethyl)benzamide
CID 69038851
CID 173166794
CID 173166794
CID 70601747
CID 70601747
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419
N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
CID 51331356
(2-propan-2-ylphenyl)methanamine
CID 15040708

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide (CID 3329133) is N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide is CC(C)c1ccccc1CNS(C)(=O)=O.
What is the InChIKey of N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide?
The InChIKey is RQVAHCYUDWGZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(2)11-7-5-4-6-10(11)8-12-15(3,13)14/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide?
N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 3329133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).