8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane

C20H30N2O3S — CID 123500008

IUPAC8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)Oc1ccc(N2CCC3(CCN(S(=O)(=O)C4CC4)CC3)C2)cc1
InChIInChI=1S/C20H30N2O3S/c1-16(2)25-18-5-3-17(4-6-18)21-12-9-20(15-21)10-13-22(14-11-20)26(23,24)19-7-8-19/h3-6,16,19H,7-15H2,1-2H3
InChIKeyMYTRPBUCYLZPNT-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.26
Rot. Bonds5

About 8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane

8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane (PubChem CID 123500008) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane
PubChem CID123500008
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)Oc1ccc(N2CCC3(CCN(S(=O)(=O)C4CC4)CC3)C2)cc1
InChIInChI=1S/C20H30N2O3S/c1-16(2)25-18-5-3-17(4-6-18)21-12-9-20(15-21)10-13-22(14-11-20)26(23,24)19-7-8-19/h3-6,16,19H,7-15H2,1-2H3
InChIKeyMYTRPBUCYLZPNT-UHFFFAOYSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.26
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

2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane
CID 141308717
4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
CID 118634170
8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane
CID 66787394
2-cyclopropylsulfonyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 155902701
7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97472640
[3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777080
8-methyl-2-(4-methylsulfonylphenyl)-2-azaspiro[4.4]nonane
CID 133452884
3,3-diethyl-1-(4-propan-2-yloxyphenyl)-1,4-diazepane
CID 64942747
N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine
CID 43315540
2-(4-ethylsulfonylphenyl)-2-azaspiro[4.5]decane
CID 141308714
1-[4-(1-cyclohexylethoxy)phenyl]piperidine
CID 154185560
4-(4-propan-2-yloxyphenyl)-1,4-diazepan-2-one
CID 117005295

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane (CID 123500008) is 8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane is CC(C)Oc1ccc(N2CCC3(CCN(S(=O)(=O)C4CC4)CC3)C2)cc1.
What is the InChIKey of 8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is MYTRPBUCYLZPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-16(2)25-18-5-3-17(4-6-18)21-12-9-20(15-21)10-13-22(14-11-20)26(23,24)19-7-8-19/h3-6,16,19H,7-15H2,1-2H3.
What are the key properties of 8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane?
8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 378.54 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 123500008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).