8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane

C25H31ClN2O3S — CID 66787394

IUPAC8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CCN(c3ccc(OC4CCCC4)cc3)C2)CC1
InChIInChI=1S/C25H31ClN2O3S/c26-23-7-3-4-8-24(23)32(29,30)28-17-14-25(15-18-28)13-16-27(19-25)20-9-11-22(12-10-20)31-21-5-1-2-6-21/h3-4,7-12,21H,1-2,5-6,13-19H2
InChIKeyNANJRKFINDKLKF-UHFFFAOYSA-N
MW475.05 g/mol
LogP5.34
Rot. Bonds5

About 8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane

8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane (PubChem CID 66787394) has the molecular formula C25H31ClN2O3S and a molecular weight of 475.05 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane
PubChem CID66787394
Molecular FormulaC25H31ClN2O3S
Molecular Weight475.05 g/mol
Exact Mass474.17
IUPAC Name8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CCN(c3ccc(OC4CCCC4)cc3)C2)CC1
InChIInChI=1S/C25H31ClN2O3S/c26-23-7-3-4-8-24(23)32(29,30)28-17-14-25(15-18-28)13-16-27(19-25)20-9-11-22(12-10-20)31-21-5-1-2-6-21/h3-4,7-12,21H,1-2,5-6,13-19H2
InChIKeyNANJRKFINDKLKF-UHFFFAOYSA-N
XLogP5.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.05
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane
CID 123201368
9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane
CID 66787483
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3766966
8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane
CID 123500008
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine
CID 91265545
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane
CID 123565629
1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine
CID 101248459
8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane
CID 66786899
8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 123139867

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane (CID 66787394) is 8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1Cl)N1CCC2(CCN(c3ccc(OC4CCCC4)cc3)C2)CC1.
What is the InChIKey of 8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is NANJRKFINDKLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O3S/c26-23-7-3-4-8-24(23)32(29,30)28-17-14-25(15-18-28)13-16-27(19-25)20-9-11-22(12-10-20)31-21-5-1-2-6-21/h3-4,7-12,21H,1-2,5-6,13-19H2.
What are the key properties of 8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane?
8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 475.05 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 66787394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).