2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide

C12H18N2O3S2 — CID 2738669

IUPAC2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCNC2=O)c(C)s1
InChIInChI=1S/C12H18N2O3S2/c1-8-7-11(9(2)18-8)19(16,17)14-10-5-3-4-6-13-12(10)15/h7,10,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyWIJPEFRMWKLGMC-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.31
Rot. Bonds3

About 2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide

2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide (PubChem CID 2738669) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide
PubChem CID2738669
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCNC2=O)c(C)s1
InChIInChI=1S/C12H18N2O3S2/c1-8-7-11(9(2)18-8)19(16,17)14-10-5-3-4-6-13-12(10)15/h7,10,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyWIJPEFRMWKLGMC-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide (CID 2738669) is 2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NC2CCCCNC2=O)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide?
The InChIKey is WIJPEFRMWKLGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-8-7-11(9(2)18-8)19(16,17)14-10-5-3-4-6-13-12(10)15/h7,10,14H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 2738669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).