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

C12H18N2O3S — CID 54867006

IUPAC2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide
SMILESCc1c(NCC2CCOC2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9-11(14-7-10-5-6-17-8-10)3-2-4-12(9)18(13,15)16/h2-4,10,14H,5-8H2,1H3,(H2,13,15,16)
InChIKeyMHJVDXOSWLYKPH-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.09
Rot. Bonds4

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

2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide (PubChem CID 54867006) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide
PubChem CID54867006
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide
SMILESCc1c(NCC2CCOC2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9-11(14-7-10-5-6-17-8-10)3-2-4-12(9)18(13,15)16/h2-4,10,14H,5-8H2,1H3,(H2,13,15,16)
InChIKeyMHJVDXOSWLYKPH-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

2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 55242224
2-methylsulfonyl-N-(oxolan-3-ylmethyl)aniline
CID 43724682
2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61039943
2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 43203352
methyl 2-methyl-3-(oxolan-3-ylmethylamino)benzoate
CID 43714476
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 55030692
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396
2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
CID 107116318
N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide
CID 63739677
N,2-dimethyl-3-(oxan-3-ylmethylamino)benzamide
CID 63740558
N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide
CID 43208091

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide (CID 54867006) is 2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide is Cc1c(NCC2CCOC2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide?
The InChIKey is MHJVDXOSWLYKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-11(14-7-10-5-6-17-8-10)3-2-4-12(9)18(13,15)16/h2-4,10,14H,5-8H2,1H3,(H2,13,15,16).
What are the key properties of 2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide?
2-methyl-3-(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-3-(oxolan-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 54867006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).