1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea

C13H24N4S2 — CID 18275552

IUPAC1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea
SMILESCC(C)(CNC(=S)NC1CC1)CNC(=S)NC1CC1
InChIInChI=1S/C13H24N4S2/c1-13(2,7-14-11(18)16-9-3-4-9)8-15-12(19)17-10-5-6-10/h9-10H,3-8H2,1-2H3,(H2,14,16,18)(H2,15,17,19)
InChIKeyUJQJCLKTAAPJMH-UHFFFAOYSA-N
MW300.50 g/mol
LogP1.27
Rot. Bonds6

About 1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea

1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea (PubChem CID 18275552) has the molecular formula C13H24N4S2 and a molecular weight of 300.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea
PubChem CID18275552
Molecular FormulaC13H24N4S2
Molecular Weight300.50 g/mol
Exact Mass300.14
IUPAC Name1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea
SMILESCC(C)(CNC(=S)NC1CC1)CNC(=S)NC1CC1
InChIInChI=1S/C13H24N4S2/c1-13(2,7-14-11(18)16-9-3-4-9)8-15-12(19)17-10-5-6-10/h9-10H,3-8H2,1-2H3,(H2,14,16,18)(H2,15,17,19)
InChIKeyUJQJCLKTAAPJMH-UHFFFAOYSA-N
XLogP1.27
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea (CID 18275552) is 1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea is CC(C)(CNC(=S)NC1CC1)CNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea?
The InChIKey is UJQJCLKTAAPJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S2/c1-13(2,7-14-11(18)16-9-3-4-9)8-15-12(19)17-10-5-6-10/h9-10H,3-8H2,1-2H3,(H2,14,16,18)(H2,15,17,19).
What are the key properties of 1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea?
1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea has a molecular weight of 300.50 g/mol, XLogP of 1.27, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(cyclopropylcarbamothioylamino)-2,2-dimethylpropyl]thiourea is sourced from PubChem (CID 18275552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).