N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide

C11H16N2O3S3 — CID 27245860

IUPACN,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1csc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C11H16N2O3S3/c1-12(2)19(15,16)9-7-10(18-8-9)11(14)13-3-5-17-6-4-13/h7-8H,3-6H2,1-2H3
InChIKeyOIWQAUNUMTYZAP-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.19
Rot. Bonds3

About N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide

N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide (PubChem CID 27245860) has the molecular formula C11H16N2O3S3 and a molecular weight of 320.46 g/mol. Its IUPAC name is N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide
PubChem CID27245860
Molecular FormulaC11H16N2O3S3
Molecular Weight320.46 g/mol
Exact Mass320.03
IUPAC NameN,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1csc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C11H16N2O3S3/c1-12(2)19(15,16)9-7-10(18-8-9)11(14)13-3-5-17-6-4-13/h7-8H,3-6H2,1-2H3
InChIKeyOIWQAUNUMTYZAP-UHFFFAOYSA-N
XLogP1.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide?
The IUPAC name of N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide (CID 27245860) is N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide is CN(C)S(=O)(=O)c1csc(C(=O)N2CCSCC2)c1.
What is the InChIKey of N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide?
The InChIKey is OIWQAUNUMTYZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S3/c1-12(2)19(15,16)9-7-10(18-8-9)11(14)13-3-5-17-6-4-13/h7-8H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide?
N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide has a molecular weight of 320.46 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(thiomorpholine-4-carbonyl)thiophene-3-sulfonamide is sourced from PubChem (CID 27245860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).