N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide

C10H14N2O4S2 — CID 47331328

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cccnc2)CCS(=O)(=O)C1
InChIInChI=1S/C10H14N2O4S2/c1-10(4-6-17(13,14)8-10)12-18(15,16)9-3-2-5-11-7-9/h2-3,5,7,12H,4,6,8H2,1H3
InChIKeyGQEIVVKYQFCPSE-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.06
Rot. Bonds3

About N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide

N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide (PubChem CID 47331328) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
PubChem CID47331328
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cccnc2)CCS(=O)(=O)C1
InChIInChI=1S/C10H14N2O4S2/c1-10(4-6-17(13,14)8-10)12-18(15,16)9-3-2-5-11-7-9/h2-3,5,7,12H,4,6,8H2,1H3
InChIKeyGQEIVVKYQFCPSE-UHFFFAOYSA-N
XLogP-0.06
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 51642152
5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
CID 64608959
8-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)quinoline-5-sulfonamide
CID 134002358
1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 139006914
[1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate
CID 57222723
N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61124758
3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide
CID 60700277
1-(pyridin-3-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61125063
5-bromo-2-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 60660558
5-chloro-1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazole-4-sulfonamide
CID 47164704
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide (CID 47331328) is N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide is CC1(NS(=O)(=O)c2cccnc2)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide?
The InChIKey is GQEIVVKYQFCPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-10(4-6-17(13,14)8-10)12-18(15,16)9-3-2-5-11-7-9/h2-3,5,7,12H,4,6,8H2,1H3.
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide has a molecular weight of 290.37 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 47331328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).