N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide

C13H20N2O3S — CID 43741204

IUPACN-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide
SMILESCc1cc(NC2CCOCC2)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-10-9-12(14-11-5-7-18-8-6-11)3-4-13(10)15-19(2,16)17/h3-4,9,11,14-15H,5-8H2,1-2H3
InChIKeyVAPPBPKZAHEJHX-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.96
Rot. Bonds4

About N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide

N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide (PubChem CID 43741204) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide
PubChem CID43741204
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide
SMILESCc1cc(NC2CCOCC2)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-10-9-12(14-11-5-7-18-8-6-11)3-4-13(10)15-19(2,16)17/h3-4,9,11,14-15H,5-8H2,1-2H3
InChIKeyVAPPBPKZAHEJHX-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(oxepan-4-ylamino)benzenesulfonamide
CID 65077103
N-(2-methyl-5-methylsulfonylphenyl)oxan-4-amine
CID 43685079
2-methyl-4-(oxan-4-ylamino)benzonitrile
CID 81273340
N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
CID 106594192
N-[4-methyl-3-(trifluoromethyl)phenyl]oxepan-4-amine
CID 65081917
N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide
CID 43790084
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide
CID 64891328
1-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]methanesulfonamide
CID 55246411
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide
CID 106633520
N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide
CID 63953895
N-[4-(butylamino)-2-methylphenyl]methanesulfonamide
CID 43741283

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide (CID 43741204) is N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide is Cc1cc(NC2CCOCC2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide?
The InChIKey is VAPPBPKZAHEJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-9-12(14-11-5-7-18-8-6-11)3-4-13(10)15-19(2,16)17/h3-4,9,11,14-15H,5-8H2,1-2H3.
What are the key properties of N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide?
N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43741204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).