N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide

C13H20N2O2S2 — CID 120713766

IUPACN-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide
SMILESCSc1ccccc1S(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C13H20N2O2S2/c1-10-9-11(7-8-14-10)15-19(16,17)13-6-4-3-5-12(13)18-2/h3-6,10-11,14-15H,7-9H2,1-2H3
InChIKeyDNVLKQYCJIYPAE-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.83
Rot. Bonds4

About N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide

N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide (PubChem CID 120713766) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide
PubChem CID120713766
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide
SMILESCSc1ccccc1S(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C13H20N2O2S2/c1-10-9-11(7-8-14-10)15-19(16,17)13-6-4-3-5-12(13)18-2/h3-6,10-11,14-15H,7-9H2,1-2H3
InChIKeyDNVLKQYCJIYPAE-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995781
2,5-dichloro-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide;hydrochloride
CID 120585748
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120586069
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzenesulfonamide
CID 106995714
N-(2-methylpiperidin-4-yl)furan-2-sulfonamide
CID 120875795
N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide
CID 91661756
2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
CID 106995677
2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120713789
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide (CID 120713766) is N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide is CSc1ccccc1S(=O)(=O)NC1CCNC(C)C1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide?
The InChIKey is DNVLKQYCJIYPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-10-9-11(7-8-14-10)15-19(16,17)13-6-4-3-5-12(13)18-2/h3-6,10-11,14-15H,7-9H2,1-2H3.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide?
N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 120713766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).