1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea

C10H18N2S — CID 126993683

IUPAC1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea
SMILESCC1(NC(=S)NC2CC2(C)C)CC1
InChIInChI=1S/C10H18N2S/c1-9(2)6-7(9)11-8(13)12-10(3)4-5-10/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyZKAOHAZYJTVWCQ-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.80
Rot. Bonds2

About 1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea

1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea (PubChem CID 126993683) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea
PubChem CID126993683
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea
SMILESCC1(NC(=S)NC2CC2(C)C)CC1
InChIInChI=1S/C10H18N2S/c1-9(2)6-7(9)11-8(13)12-10(3)4-5-10/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyZKAOHAZYJTVWCQ-UHFFFAOYSA-N
XLogP1.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butyl)-N'-cyclopropylthiourea
CID 2798326
N-(tert-butyl)-N'-cyclopropylmethylthiourea
CID 2730509
1-tert-butyl-3-[(2R)-3,3-dimethylbutan-2-yl]thiourea
CID 168352965
1-Cyclopropyl-3-(2-methylbutyl)thiourea
CID 16460911
1-(Dicyclopropylmethyl)-3-propylthiourea
CID 88342480
1-Cyclopropyl-3-(2,2-dimethylpropyl)thiourea
CID 115591628
1-cyclopropyl-3-[(2R)-2-methylbutyl]thiourea
CID 7342649
1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea
CID 7342650
1-(2-Methylbutan-2-yl)-3-propan-2-ylthiourea
CID 12906297
1-Butyl-3-(3,3-dimethylbutan-2-yl)thiourea
CID 17265887
1-Propan-2-yl-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 17276890
1-Cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea
CID 18275552

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea (CID 126993683) is 1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea is CC1(NC(=S)NC2CC2(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea?
The InChIKey is ZKAOHAZYJTVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-9(2)6-7(9)11-8(13)12-10(3)4-5-10/h7H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea?
1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea has a molecular weight of 198.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-3-(1-methylcyclopropyl)thiourea is sourced from PubChem (CID 126993683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).