N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide

C13H21N3O3S — CID 90633512

IUPACN-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C13H21N3O3S/c1-2-10-20(17,18)16-11-4-6-12(7-5-11)19-13-14-8-3-9-15-13/h3,8-9,11-12,16H,2,4-7,10H2,1H3
InChIKeyRDQKCNIOUBYITQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.50
Rot. Bonds6

About N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide

N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide (PubChem CID 90633512) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
PubChem CID90633512
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C13H21N3O3S/c1-2-10-20(17,18)16-11-4-6-12(7-5-11)19-13-14-8-3-9-15-13/h3,8-9,11-12,16H,2,4-7,10H2,1H3
InChIKeyRDQKCNIOUBYITQ-UHFFFAOYSA-N
XLogP1.50
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyrimidin-2-yloxycyclohexyl)cyclopropanesulfonamide
CID 91626345
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
CID 90635022
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
CID 91626338
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide
CID 91626336
1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
CID 91626349
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626284
ethyl 4-pyrimidin-2-yloxycyclohexane-1-carboxylate
CID 86642054
N-cyclopropylhexane-1-sulfonamide
CID 67119181

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide?
The IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide (CID 90633512) is N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide?
The InChIKey is RDQKCNIOUBYITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-10-20(17,18)16-11-4-6-12(7-5-11)19-13-14-8-3-9-15-13/h3,8-9,11-12,16H,2,4-7,10H2,1H3.
What are the key properties of N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide?
N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide is sourced from PubChem (CID 90633512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).