2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide

C12H18N2O3S — CID 68614900

IUPAC2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CNCC1CCCO1
InChIInChI=1S/C12H18N2O3S/c13-18(15,16)12-6-2-1-4-10(12)8-14-9-11-5-3-7-17-11/h1-2,4,6,11,14H,3,5,7-9H2,(H2,13,15,16)
InChIKeyWYZJRCPZVDXAIM-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.60
Rot. Bonds5

About 2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide

2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide (PubChem CID 68614900) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide
PubChem CID68614900
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CNCC1CCCO1
InChIInChI=1S/C12H18N2O3S/c13-18(15,16)12-6-2-1-4-10(12)8-14-9-11-5-3-7-17-11/h1-2,4,6,11,14H,3,5,7-9H2,(H2,13,15,16)
InChIKeyWYZJRCPZVDXAIM-UHFFFAOYSA-N
XLogP0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 114369310
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55023246
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
4-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diamine;hydrochloride
CID 22328123
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614

Frequently Asked Questions

What is the IUPAC name of 2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide?
The IUPAC name of 2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide (CID 68614900) is 2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide?
The canonical SMILES for 2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1CNCC1CCCO1.
What is the InChIKey of 2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide?
The InChIKey is WYZJRCPZVDXAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-18(15,16)12-6-2-1-4-10(12)8-14-9-11-5-3-7-17-11/h1-2,4,6,11,14H,3,5,7-9H2,(H2,13,15,16).
What are the key properties of 2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide?
2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 68614900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).