2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide

C13H20N2O3S — CID 55242224

IUPAC2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
SMILESCc1c(NCC2CCCOC2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-10-12(5-2-6-13(10)19(14,16)17)15-8-11-4-3-7-18-9-11/h2,5-6,11,15H,3-4,7-9H2,1H3,(H2,14,16,17)
InChIKeyYFBCWXBJJONRPW-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.48
Rot. Bonds4

About 2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide

2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide (PubChem CID 55242224) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
PubChem CID55242224
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
SMILESCc1c(NCC2CCCOC2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-10-12(5-2-6-13(10)19(14,16)17)15-8-11-4-3-7-18-9-11/h2,5-6,11,15H,3-4,7-9H2,1H3,(H2,14,16,17)
InChIKeyYFBCWXBJJONRPW-UHFFFAOYSA-N
XLogP1.48
TPSA81.42 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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 54867006
N,2-dimethyl-3-(oxan-3-ylmethylamino)benzamide
CID 63740558
N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide
CID 63739677
N-(oxan-3-ylmethyl)-2-propylsulfonylaniline
CID 61020152
2-methylsulfonyl-N-(oxolan-3-ylmethyl)aniline
CID 43724682
2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61039943
1-[2-(oxan-3-ylmethylamino)phenyl]ethanol
CID 63739863
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
4-(oxan-3-ylmethylamino)-3-(trifluoromethylsulfonyl)benzenesulfonamide
CID 166652666
N-(oxan-3-ylmethyl)-2-propylaniline
CID 63737543
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 55030692
2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 43203352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide (CID 55242224) is 2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide is Cc1c(NCC2CCCOC2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide?
The InChIKey is YFBCWXBJJONRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-12(5-2-6-13(10)19(14,16)17)15-8-11-4-3-7-18-9-11/h2,5-6,11,15H,3-4,7-9H2,1H3,(H2,14,16,17).
What are the key properties of 2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide?
2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 55242224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).