2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one

C17H30N2OS — CID 83269998

IUPAC2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C2CCCC2)N(CC2CCCS2)C1=O
InChIInChI=1S/C17H30N2OS/c1-12(2)10-15-17(20)19(11-14-8-5-9-21-14)16(18-15)13-6-3-4-7-13/h12-16,18H,3-11H2,1-2H3
InChIKeyGTHSMIAUUUKRGQ-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.24
Rot. Bonds5

About 2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one

2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83269998) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one
PubChem CID83269998
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C2CCCC2)N(CC2CCCS2)C1=O
InChIInChI=1S/C17H30N2OS/c1-12(2)10-15-17(20)19(11-14-8-5-9-21-14)16(18-15)13-6-3-4-7-13/h12-16,18H,3-11H2,1-2H3
InChIKeyGTHSMIAUUUKRGQ-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270669
6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586725
2-cyclopentyl-3-(2,3-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83267157
2-cyclopentyl-3-(2-methoxypropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 102702037
2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270997
2-cyclopentyl-3-cyclopropyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83242377
2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270758
5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266972
2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270596
5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270679
3,6-diethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587044
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one (CID 83269998) is 2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one is CC(C)CC1NC(C2CCCC2)N(CC2CCCS2)C1=O.
What is the InChIKey of 2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is GTHSMIAUUUKRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-12(2)10-15-17(20)19(11-14-8-5-9-21-14)16(18-15)13-6-3-4-7-13/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 310.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83269998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).