7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

C19H27N3O3S — CID 72939411

IUPAC7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCCCC2)CCCC12CCN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C19H27N3O3S/c23-18-19(9-5-12-22(18)16-6-2-1-3-7-16)10-13-21(15-19)26(24,25)17-8-4-11-20-14-17/h4,8,11,14,16H,1-3,5-7,9-10,12-13,15H2
InChIKeyZIIDZSKYTVTXIE-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.42
Rot. Bonds3

About 7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one

7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72939411) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72939411
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCCCC2)CCCC12CCN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C19H27N3O3S/c23-18-19(9-5-12-22(18)16-6-2-1-3-7-16)10-13-21(15-19)26(24,25)17-8-4-11-20-14-17/h4,8,11,14,16H,1-3,5-7,9-10,12-13,15H2
InChIKeyZIIDZSKYTVTXIE-UHFFFAOYSA-N
XLogP2.42
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97138313
7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 86286966
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135240
7-cyclopentyl-2-pyridazin-3-yl-2,7-diazaspiro[4.5]decan-6-one
CID 86283608
4-cyclopentyl-2-methyl-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one
CID 121117389
[(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol
CID 97130526
2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120718656
(5R)-7-cyclopentyl-2-(5-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147036
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
(5S)-7-cyclohexyl-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120073
2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 143229463

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 72939411) is 7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCCCC2)CCCC12CCN(S(=O)(=O)c1cccnc1)C2.
What is the InChIKey of 7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZIIDZSKYTVTXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-18-19(9-5-12-22(18)16-6-2-1-3-7-16)10-13-21(15-19)26(24,25)17-8-4-11-20-14-17/h4,8,11,14,16H,1-3,5-7,9-10,12-13,15H2.
What are the key properties of 7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one?
7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 377.51 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72939411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).