N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide

C11H15NO4S2 — CID 16957631

IUPACN-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO4S2/c1-12(10-5-3-2-4-6-10)18(15,16)11-7-8-17(13,14)9-11/h2-6,11H,7-9H2,1H3
InChIKeyCFHAANASKSGORK-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.64
Rot. Bonds3

About N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide

N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide (PubChem CID 16957631) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide
PubChem CID16957631
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC NameN-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO4S2/c1-12(10-5-3-2-4-6-10)18(15,16)11-7-8-17(13,14)9-11/h2-6,11H,7-9H2,1H3
InChIKeyCFHAANASKSGORK-UHFFFAOYSA-N
XLogP0.64
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)sulfonyl-methylamino]benzoic acid
CID 43172795
N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide
CID 18593878
N-(2-aminoethyl)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 106511503
(3R)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 7540591
(3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 7540593
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide
CID 113153644
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
3-(4-benzylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
CID 20995140
(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 40548256
2-(1,1-dioxothiolan-3-yl)sulfonylaniline
CID 61367424
(3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 40512968
4-[(1,1-dioxothiolan-3-yl)sulfonyl-methylamino]oxolane-3-carboxylic acid
CID 66235755

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide?
The IUPAC name of N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide (CID 16957631) is N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide.
What is the SMILES notation for N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide?
The canonical SMILES for N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide is CN(c1ccccc1)S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide?
The InChIKey is CFHAANASKSGORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-12(10-5-3-2-4-6-10)18(15,16)11-7-8-17(13,14)9-11/h2-6,11H,7-9H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide?
N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide has a molecular weight of 289.38 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide is sourced from PubChem (CID 16957631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).