N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide

C12H18N2O2S2 — CID 43296997

IUPACN-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)C2CCSC2)cc1
InChIInChI=1S/C12H18N2O2S2/c1-13-10-3-5-12(6-4-10)18(15,16)14(2)11-7-8-17-9-11/h3-6,11,13H,7-9H2,1-2H3
InChIKeyJZUHLQIPQMKSCK-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide

N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 43296997) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID43296997
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC NameN-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)N(C)C2CCSC2)cc1
InChIInChI=1S/C12H18N2O2S2/c1-13-10-3-5-12(6-4-10)18(15,16)14(2)11-7-8-17-9-11/h3-6,11,13H,7-9H2,1-2H3
InChIKeyJZUHLQIPQMKSCK-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide (CID 43296997) is N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide is CNc1ccc(S(=O)(=O)N(C)C2CCSC2)cc1.
What is the InChIKey of N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is JZUHLQIPQMKSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-13-10-3-5-12(6-4-10)18(15,16)14(2)11-7-8-17-9-11/h3-6,11,13H,7-9H2,1-2H3.
What are the key properties of N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide?
N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 286.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 43296997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).