N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide

C9H14N2O2S2 — CID 110715903

IUPACN-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C9H14N2O2S2/c1-2-15(12,13)11(8-3-4-8)7-9-10-5-6-14-9/h5-6,8H,2-4,7H2,1H3
InChIKeyJBBNXXJYEHDTLR-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.46
Rot. Bonds5

About N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide

N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide (PubChem CID 110715903) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
PubChem CID110715903
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC NameN-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C9H14N2O2S2/c1-2-15(12,13)11(8-3-4-8)7-9-10-5-6-14-9/h5-6,8H,2-4,7H2,1H3
InChIKeyJBBNXXJYEHDTLR-UHFFFAOYSA-N
XLogP1.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide?
The IUPAC name of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide (CID 110715903) is N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide?
The InChIKey is JBBNXXJYEHDTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-2-15(12,13)11(8-3-4-8)7-9-10-5-6-14-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide?
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide has a molecular weight of 246.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 110715903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).