1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea

C12H17N3O4S — CID 154852000

IUPAC1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea
SMILESO=C(N[C@@H]1CCCC[C@H]1O)NS(=O)(=O)c1ccccn1
InChIInChI=1S/C12H17N3O4S/c16-10-6-2-1-5-9(10)14-12(17)15-20(18,19)11-7-3-4-8-13-11/h3-4,7-10,16H,1-2,5-6H2,(H2,14,15,17)/t9-,10-/m1/s1
InChIKeyNHTABRRIURYORA-NXEZZACHSA-N
MW299.35 g/mol
LogP0.37
Rot. Bonds3

About 1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea

1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea (PubChem CID 154852000) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea
PubChem CID154852000
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea
SMILESO=C(N[C@@H]1CCCC[C@H]1O)NS(=O)(=O)c1ccccn1
InChIInChI=1S/C12H17N3O4S/c16-10-6-2-1-5-9(10)14-12(17)15-20(18,19)11-7-3-4-8-13-11/h3-4,7-10,16H,1-2,5-6H2,(H2,14,15,17)/t9-,10-/m1/s1
InChIKeyNHTABRRIURYORA-NXEZZACHSA-N
XLogP0.37
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
CID 51105726
N-pyridin-2-ylsulfonylcyclopropanecarboxamide
CID 150675876
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
CID 40596016
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
3-cyclopentyl-1-methyl-N-pyridin-2-ylsulfonylpyrazole-4-carboxamide
CID 146104183
N-[(1S,2R)-2-methylcyclohexyl]-2-pyridin-2-ylsulfonylacetamide
CID 94027180
pyridin-2-ylsulfonylthiourea
CID 19808514
2-cyclohexylsulfonylpyridine
CID 22764697
N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide
CID 134124422
trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol
CID 102731505
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
4-amino-N-pyridin-2-ylsulfonylbenzamide
CID 153322012

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea (CID 154852000) is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea is O=C(N[C@@H]1CCCC[C@H]1O)NS(=O)(=O)c1ccccn1.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea?
The InChIKey is NHTABRRIURYORA-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17N3O4S/c16-10-6-2-1-5-9(10)14-12(17)15-20(18,19)11-7-3-4-8-13-11/h3-4,7-10,16H,1-2,5-6H2,(H2,14,15,17)/t9-,10-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea?
1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea has a molecular weight of 299.35 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea is sourced from PubChem (CID 154852000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).