1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea

C12H23N3S2 — CID 106325042

IUPAC1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea
SMILESS=C(NCCN1CCSCC1)NC1CCCC1
InChIInChI=1S/C12H23N3S2/c16-12(14-11-3-1-2-4-11)13-5-6-15-7-9-17-10-8-15/h11H,1-10H2,(H2,13,14,16)
InChIKeyWFHNRQTVGCVEGR-UHFFFAOYSA-N
MW273.47 g/mol
LogP1.44
Rot. Bonds4

About 1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea

1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea (PubChem CID 106325042) has the molecular formula C12H23N3S2 and a molecular weight of 273.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea
PubChem CID106325042
Molecular FormulaC12H23N3S2
Molecular Weight273.47 g/mol
Exact Mass273.13
IUPAC Name1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea
SMILESS=C(NCCN1CCSCC1)NC1CCCC1
InChIInChI=1S/C12H23N3S2/c16-12(14-11-3-1-2-4-11)13-5-6-15-7-9-17-10-8-15/h11H,1-10H2,(H2,13,14,16)
InChIKeyWFHNRQTVGCVEGR-UHFFFAOYSA-N
XLogP1.44
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 9097915
N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325726
1-cyclohexyl-3-[(2-thiomorpholin-4-ylacetyl)amino]thiourea
CID 872977
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine
CID 119153800
1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine
CID 106327693
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718
1-(3-methoxypropyl)-3-(2-thiomorpholin-4-ylethyl)thiourea
CID 103659104
1-cyclooctyl-3-propylthiourea
CID 19650537

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea (CID 106325042) is 1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea is S=C(NCCN1CCSCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea?
The InChIKey is WFHNRQTVGCVEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S2/c16-12(14-11-3-1-2-4-11)13-5-6-15-7-9-17-10-8-15/h11H,1-10H2,(H2,13,14,16).
What are the key properties of 1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea?
1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea has a molecular weight of 273.47 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea is sourced from PubChem (CID 106325042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).