N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide

C12H18N2O3S — CID 82727026

IUPACN-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
SMILESCC1OCCC1Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9-10(7-8-17-9)13-11-5-3-4-6-12(11)14-18(2,15)16/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyGCWFLODSFDTIDK-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.65
Rot. Bonds4

About N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide

N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide (PubChem CID 82727026) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
PubChem CID82727026
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
SMILESCC1OCCC1Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9-10(7-8-17-9)13-11-5-3-4-6-12(11)14-18(2,15)16/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyGCWFLODSFDTIDK-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylphenyl)oxolan-3-amine
CID 75525382
2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82726024
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
CID 82727389
(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine
CID 97358541
(2R,3R)-N-(2-iodophenyl)-2-methyloxolan-3-amine
CID 97358603
2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 82727406
2-methyl-N-(2-propan-2-ylphenyl)oxolan-3-amine
CID 82716606
2-amino-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 112675017
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82835843
3-chloro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 104834789
3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82725530
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide
CID 106658526

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide (CID 82727026) is N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide is CC1OCCC1Nc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide?
The InChIKey is GCWFLODSFDTIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-10(7-8-17-9)13-11-5-3-4-6-12(11)14-18(2,15)16/h3-6,9-10,13-14H,7-8H2,1-2H3.
What are the key properties of N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide?
N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 82727026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).