N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide

C14H17N3O3S2 — CID 91626336

IUPACN-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1cccs1
InChIInChI=1S/C14H17N3O3S2/c18-22(19,13-3-1-10-21-13)17-11-4-6-12(7-5-11)20-14-15-8-2-9-16-14/h1-3,8-12,17H,4-7H2
InChIKeyMYALAKICUGUPBE-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.21
Rot. Bonds5

About N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide

N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide (PubChem CID 91626336) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide
PubChem CID91626336
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1cccs1
InChIInChI=1S/C14H17N3O3S2/c18-22(19,13-3-1-10-21-13)17-11-4-6-12(7-5-11)20-14-15-8-2-9-16-14/h1-3,8-12,17H,4-7H2
InChIKeyMYALAKICUGUPBE-UHFFFAOYSA-N
XLogP2.21
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopropanesulfonamide
CID 91626345
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
CID 90633512
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
CID 91626338
1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
CID 91626349
N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71645820
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 91626438
5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122047696
N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119930328
N-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 133489295

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide (CID 91626336) is N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide is O=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1cccs1.
What is the InChIKey of N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide?
The InChIKey is MYALAKICUGUPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c18-22(19,13-3-1-10-21-13)17-11-4-6-12(7-5-11)20-14-15-8-2-9-16-14/h1-3,8-12,17H,4-7H2.
What are the key properties of N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide?
N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide has a molecular weight of 339.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 91626336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).