3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide

C12H18N2O3S — CID 82727555

IUPAC3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide
SMILESCC1OCCC1NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-9-12(5-6-17-9)14-8-10-3-2-4-11(7-10)18(13,15)16/h2-4,7,9,12,14H,5-6,8H2,1H3,(H2,13,15,16)
InChIKeyOKLSKYSSHVDGLX-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.60
Rot. Bonds4

About 3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide

3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide (PubChem CID 82727555) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide
PubChem CID82727555
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide
SMILESCC1OCCC1NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-9-12(5-6-17-9)14-8-10-3-2-4-11(7-10)18(13,15)16/h2-4,7,9,12,14H,5-6,8H2,1H3,(H2,13,15,16)
InChIKeyOKLSKYSSHVDGLX-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide
CID 64752597
2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine
CID 115336489
3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide
CID 64623774
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide
CID 62982169
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide
CID 167773157
2-methyl-1-(2-methylcyclopropyl)-3-[(3-sulfamoylphenyl)methyl]guanidine
CID 111961555
2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 79506370
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide (CID 82727555) is 3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide is CC1OCCC1NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide?
The InChIKey is OKLSKYSSHVDGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-12(5-6-17-9)14-8-10-3-2-4-11(7-10)18(13,15)16/h2-4,7,9,12,14H,5-6,8H2,1H3,(H2,13,15,16).
What are the key properties of 3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide?
3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 82727555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).