N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide

C11H14N2O2S — CID 63953895

IUPACN-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide
SMILESC#CCNc1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C11H14N2O2S/c1-4-7-12-10-5-6-11(9(2)8-10)13-16(3,14)15/h1,5-6,8,12-13H,7H2,2-3H3
InChIKeyYJNIENVYFWKRFG-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.41
Rot. Bonds4

About N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide

N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide (PubChem CID 63953895) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide
PubChem CID63953895
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide
SMILESC#CCNc1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C11H14N2O2S/c1-4-7-12-10-5-6-11(9(2)8-10)13-16(3,14)15/h1,5-6,8,12-13H,7H2,2-3H3
InChIKeyYJNIENVYFWKRFG-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide (CID 63953895) is N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide is C#CCNc1ccc(NS(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide?
The InChIKey is YJNIENVYFWKRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-4-7-12-10-5-6-11(9(2)8-10)13-16(3,14)15/h1,5-6,8,12-13H,7H2,2-3H3.
What are the key properties of N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide?
N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide has a molecular weight of 238.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 63953895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).