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

C12H18N2S2 — CID 115673593

IUPAC3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCC(Cc1cccs1)N(C)C(=S)NC1CC1
InChIInChI=1S/C12H18N2S2/c1-9(8-11-4-3-7-16-11)14(2)12(15)13-10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyISXQZGWRHPXVDF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.65
Rot. Bonds4

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

3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea (PubChem CID 115673593) has the molecular formula C12H18N2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
PubChem CID115673593
Molecular FormulaC12H18N2S2
Molecular Weight254.42 g/mol
Exact Mass254.09
IUPAC Name3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCC(Cc1cccs1)N(C)C(=S)NC1CC1
InChIInChI=1S/C12H18N2S2/c1-9(8-11-4-3-7-16-11)14(2)12(15)13-10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyISXQZGWRHPXVDF-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.65
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-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 116509360
3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673594
1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8727561
3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570921
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
CID 114763468
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005241
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082
1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
CID 2730103
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea (CID 115673593) is 3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea is CC(Cc1cccs1)N(C)C(=S)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
The InChIKey is ISXQZGWRHPXVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S2/c1-9(8-11-4-3-7-16-11)14(2)12(15)13-10-5-6-10/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,13,15).
What are the key properties of 3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea has a molecular weight of 254.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea is sourced from PubChem (CID 115673593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).