2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide

C12H18N2O3S — CID 43203352

IUPAC2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
SMILESCc1ccc(NCC2CCOC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9-2-3-11(6-12(9)18(13,15)16)14-7-10-4-5-17-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3,(H2,13,15,16)
InChIKeyLBMGBGIMODQPSH-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.09
Rot. Bonds4

About 2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide

2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide (PubChem CID 43203352) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
PubChem CID43203352
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
SMILESCc1ccc(NCC2CCOC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9-2-3-11(6-12(9)18(13,15)16)14-7-10-4-5-17-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3,(H2,13,15,16)
InChIKeyLBMGBGIMODQPSH-UHFFFAOYSA-N
XLogP1.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-4-methyl-N-(oxolan-3-ylmethyl)aniline
CID 43716317
2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 54867006
N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide
CID 43208091
4-methyl-1-N-(oxan-4-ylmethyl)benzene-1,3-diamine
CID 63725269
4-methyl-3-nitro-N-(oxan-3-ylmethyl)aniline
CID 62910554
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
2-methyl-5-(oxepan-4-ylamino)benzenesulfonamide
CID 65077103
3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
CID 43193089
3-fluoro-4-methylsulfanyl-N-(oxolan-3-ylmethyl)aniline
CID 115887991
2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 55242224
4-methyl-3-(oxolan-3-ylmethylsulfamoyl)benzoic acid
CID 60920449
2-methyl-N-(oxolan-3-ylmethyl)-3H-benzimidazol-5-amine
CID 43746507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide (CID 43203352) is 2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide is Cc1ccc(NCC2CCOC2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide?
The InChIKey is LBMGBGIMODQPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-2-3-11(6-12(9)18(13,15)16)14-7-10-4-5-17-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3,(H2,13,15,16).
What are the key properties of 2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide?
2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43203352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).