3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea

C14H22N2S2 — CID 116509360

IUPAC3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCC(Cc1cccs1)N(C)C(=S)NC1CCCC1
InChIInChI=1S/C14H22N2S2/c1-11(10-13-8-5-9-18-13)16(2)14(17)15-12-6-3-4-7-12/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,15,17)
InChIKeyPXKDBPPTKGCWCQ-UHFFFAOYSA-N
MW282.48 g/mol
LogP3.43
Rot. Bonds4

About 3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea

3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea (PubChem CID 116509360) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
PubChem CID116509360
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC Name3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCC(Cc1cccs1)N(C)C(=S)NC1CCCC1
InChIInChI=1S/C14H22N2S2/c1-11(10-13-8-5-9-18-13)16(2)14(17)15-12-6-3-4-7-12/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,15,17)
InChIKeyPXKDBPPTKGCWCQ-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673593
1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8727561
3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673594
3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570921
3-cyclooctyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 17065604
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
3-cycloheptyl-1-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)thiourea
CID 29039105
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 79494889
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
3-cyclooctyl-1-(pyridin-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 17065699
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea (CID 116509360) is 3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea is CC(Cc1cccs1)N(C)C(=S)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
The InChIKey is PXKDBPPTKGCWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-11(10-13-8-5-9-18-13)16(2)14(17)15-12-6-3-4-7-12/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea has a molecular weight of 282.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea is sourced from PubChem (CID 116509360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).