1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea

C16H29N3O3S — CID 134117155

IUPAC1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H29N3O3S/c20-15(17-14-6-2-1-3-7-14)18-23(21,22)19-12-10-16(11-13-19)8-4-5-9-16/h14H,1-13H2,(H2,17,18,20)
InChIKeyDVVRSBYALHVUHO-UHFFFAOYSA-N
MW343.49 g/mol
LogP2.52
Rot. Bonds3

About 1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea

1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea (PubChem CID 134117155) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea
PubChem CID134117155
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H29N3O3S/c20-15(17-14-6-2-1-3-7-14)18-23(21,22)19-12-10-16(11-13-19)8-4-5-9-16/h14H,1-13H2,(H2,17,18,20)
InChIKeyDVVRSBYALHVUHO-UHFFFAOYSA-N
XLogP2.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605548
1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea
CID 134115013
1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea
CID 134115053
1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea
CID 134126330
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
1-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119304292
spiro[5.5]undecan-3-ylurea
CID 91662332
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565229

Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea?
The IUPAC name of 1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea (CID 134117155) is 1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea?
The canonical SMILES for 1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea is O=C(NC1CCCCC1)NS(=O)(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of 1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea?
The InChIKey is DVVRSBYALHVUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c20-15(17-14-6-2-1-3-7-14)18-23(21,22)19-12-10-16(11-13-19)8-4-5-9-16/h14H,1-13H2,(H2,17,18,20).
What are the key properties of 1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea?
1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea has a molecular weight of 343.49 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea is sourced from PubChem (CID 134117155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).