N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide

C13H19NO3S — CID 75387068

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C13H19NO3S/c1-11-3-2-4-12(9-11)10-18(16,17)14(7-8-15)13-5-6-13/h2-4,9,13,15H,5-8,10H2,1H3
InChIKeyVTFRXJXRDUZJPG-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.28
Rot. Bonds6

About N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide

N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 75387068) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID75387068
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C13H19NO3S/c1-11-3-2-4-12(9-11)10-18(16,17)14(7-8-15)13-5-6-13/h2-4,9,13,15H,5-8,10H2,1H3
InChIKeyVTFRXJXRDUZJPG-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methanol
CID 51360539
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 71695468
N,N-bis(2-hydroxyethyl)-1-phenylmethanesulfonamide
CID 19906422
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
N-cyclobutyl-1-(2-fluoro-4-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 121535730
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 43574734
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 43577516
N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43577517
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 43577627
N-cyclopropyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 43577629
N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 43577643
N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 54879200

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide (CID 75387068) is N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)N(CCO)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is VTFRXJXRDUZJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-3-2-4-12(9-11)10-18(16,17)14(7-8-15)13-5-6-13/h2-4,9,13,15H,5-8,10H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide?
N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 75387068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).