N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide

C13H20N2O2S2 — CID 156906226

IUPACN-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCC2CCCC3CC23)s1
InChIInChI=1S/C13H20N2O2S2/c1-8-13(18-9(2)15-8)19(16,17)14-7-11-5-3-4-10-6-12(10)11/h10-12,14H,3-7H2,1-2H3
InChIKeyABTSFEKNBURNSK-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.47
Rot. Bonds4

About N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide

N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 156906226) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID156906226
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCC2CCCC3CC23)s1
InChIInChI=1S/C13H20N2O2S2/c1-8-13(18-9(2)15-8)19(16,17)14-7-11-5-3-4-10-6-12(10)11/h10-12,14H,3-7H2,1-2H3
InChIKeyABTSFEKNBURNSK-UHFFFAOYSA-N
XLogP2.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 156906226) is N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NCC2CCCC3CC23)s1.
What is the InChIKey of N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ABTSFEKNBURNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-8-13(18-9(2)15-8)19(16,17)14-7-11-5-3-4-10-6-12(10)11/h10-12,14H,3-7H2,1-2H3.
What are the key properties of N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[4.1.0]heptanylmethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 156906226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).