7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H30N2O2S — CID 45170053

IUPAC7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cccs1)N1CCC2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C21H30N2O2S/c24-19(18-8-4-15-26-18)23-14-11-21(16-23)10-5-12-22(20(21)25)13-9-17-6-2-1-3-7-17/h4,8,15,17H,1-3,5-7,9-14,16H2
InChIKeyLTCMUHPVAOQORD-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.17
Rot. Bonds4

About 7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45170053) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is 7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45170053
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC Name7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cccs1)N1CCC2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C21H30N2O2S/c24-19(18-8-4-15-26-18)23-14-11-21(16-23)10-5-12-22(20(21)25)13-9-17-6-2-1-3-7-17/h4,8,15,17H,1-3,5-7,9-14,16H2
InChIKeyLTCMUHPVAOQORD-UHFFFAOYSA-N
XLogP4.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45170053) is 7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1cccs1)N1CCC2(CCCN(CCC3CCCCC3)C2=O)C1.
What is the InChIKey of 7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LTCMUHPVAOQORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2S/c24-19(18-8-4-15-26-18)23-14-11-21(16-23)10-5-12-22(20(21)25)13-9-17-6-2-1-3-7-17/h4,8,15,17H,1-3,5-7,9-14,16H2.
What are the key properties of 7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.55 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45170053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).