N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide

C12H20N2O3S2 — CID 86247498

IUPACN-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(CC2(O)CCCCC2)cs1
InChIInChI=1S/C12H20N2O3S2/c1-2-19(16,17)14-11-13-10(9-18-11)8-12(15)6-4-3-5-7-12/h9,15H,2-8H2,1H3,(H,13,14)
InChIKeySJTFSYATUGKODG-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.14
Rot. Bonds5

About N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide

N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide (PubChem CID 86247498) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide
PubChem CID86247498
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(CC2(O)CCCCC2)cs1
InChIInChI=1S/C12H20N2O3S2/c1-2-19(16,17)14-11-13-10(9-18-11)8-12(15)6-4-3-5-7-12/h9,15H,2-8H2,1H3,(H,13,14)
InChIKeySJTFSYATUGKODG-UHFFFAOYSA-N
XLogP2.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide?
The IUPAC name of N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide (CID 86247498) is N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide?
The canonical SMILES for N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1nc(CC2(O)CCCCC2)cs1.
What is the InChIKey of N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide?
The InChIKey is SJTFSYATUGKODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-2-19(16,17)14-11-13-10(9-18-11)8-12(15)6-4-3-5-7-12/h9,15H,2-8H2,1H3,(H,13,14).
What are the key properties of N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide?
N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide has a molecular weight of 304.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-hydroxycyclohexyl)methyl]-1,3-thiazol-2-yl]ethanesulfonamide is sourced from PubChem (CID 86247498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).