2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide

C14H21NO2S — CID 103743769

IUPAC2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1(C(C)C)CC1
InChIInChI=1S/C14H21NO2S/c1-11(2)14(8-9-14)10-15-18(16,17)13-7-5-4-6-12(13)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyUBOQYJCNGCIVRI-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.71
Rot. Bonds5

About 2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide

2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 103743769) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
PubChem CID103743769
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1(C(C)C)CC1
InChIInChI=1S/C14H21NO2S/c1-11(2)14(8-9-14)10-15-18(16,17)13-7-5-4-6-12(13)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyUBOQYJCNGCIVRI-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline
CID 102846486
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
2-[(2-methylphenyl)sulfonylamino]ethyl 2-methylbenzenesulfonate
CID 86744340
4-cyano-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 106833466
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
CID 112502252
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902909
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79556754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide (CID 103743769) is 2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC1(C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is UBOQYJCNGCIVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(2)14(8-9-14)10-15-18(16,17)13-7-5-4-6-12(13)3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide?
2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103743769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).