N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide

C12H18N2O3S — CID 82835843

IUPACN-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NCC1CCCO1
InChIInChI=1S/C12H18N2O3S/c1-18(15,16)14-12-7-3-2-6-11(12)13-9-10-5-4-8-17-10/h2-3,6-7,10,13-14H,4-5,8-9H2,1H3
InChIKeyVCJAIFQRWLSMGG-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide

N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 82835843) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
PubChem CID82835843
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NCC1CCCO1
InChIInChI=1S/C12H18N2O3S/c1-18(15,16)14-12-7-3-2-6-11(12)13-9-10-5-4-8-17-10/h2-3,6-7,10,13-14H,4-5,8-9H2,1H3
InChIKeyVCJAIFQRWLSMGG-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331442
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
2-methyl-3-nitro-N-(oxolan-2-ylmethyl)aniline
CID 60721681
2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
CID 116814305
2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 82834810
N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3421168
N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
CID 82727026
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide (CID 82835843) is N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1NCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is VCJAIFQRWLSMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(15,16)14-12-7-3-2-6-11(12)13-9-10-5-4-8-17-10/h2-3,6-7,10,13-14H,4-5,8-9H2,1H3.
What are the key properties of N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide?
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 82835843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).