8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one

C16H22N2O3S — CID 97493692

IUPAC8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)CCC12CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C16H22N2O3S/c1-2-18-15(19)8-9-16(18)10-12-17(13-11-16)22(20,21)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyPCUJZCZZXCNZJT-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.85
Rot. Bonds3

About 8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one

8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493692) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493692
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)CCC12CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C16H22N2O3S/c1-2-18-15(19)8-9-16(18)10-12-17(13-11-16)22(20,21)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyPCUJZCZZXCNZJT-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one (CID 97493692) is 8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one is CCN1C(=O)CCC12CCN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PCUJZCZZXCNZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-2-18-15(19)8-9-16(18)10-12-17(13-11-16)22(20,21)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of 8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one?
8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 322.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-1-ethyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).