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

C12H18N2O2S2 — CID 102671165

IUPACN-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide
SMILESCC1SCCC1Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C12H18N2O2S2/c1-9-12(6-7-17-9)13-10-4-3-5-11(8-10)14-18(2,15)16/h3-5,8-9,12-14H,6-7H2,1-2H3
InChIKeyAOJKOKQQFJRRGZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.36
Rot. Bonds4

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

N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide (PubChem CID 102671165) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide
PubChem CID102671165
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC NameN-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide
SMILESCC1SCCC1Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C12H18N2O2S2/c1-9-12(6-7-17-9)13-10-4-3-5-11(8-10)14-18(2,15)16/h3-5,8-9,12-14H,6-7H2,1-2H3
InChIKeyAOJKOKQQFJRRGZ-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methylthian-3-yl)amino]phenyl]methanesulfonamide
CID 79957384
2-methyl-N-(3-methylphenyl)thiolan-3-amine
CID 102671005
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
CID 61310120
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64776794
N-(3-ethylphenyl)-2-methylthiolan-3-amine
CID 102671024
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
N-[3-[(3,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64732200
N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
CID 43131792
N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine
CID 102671075
[3-[(2-methylthian-3-yl)amino]phenyl]methanol
CID 79957294
N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide
CID 28731349
N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide
CID 69427809

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide (CID 102671165) is N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide is CC1SCCC1Nc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide?
The InChIKey is AOJKOKQQFJRRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-9-12(6-7-17-9)13-10-4-3-5-11(8-10)14-18(2,15)16/h3-5,8-9,12-14H,6-7H2,1-2H3.
What are the key properties of N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide?
N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide has a molecular weight of 286.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 102671165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).