1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea

C9H18N4S2 — CID 88822040

IUPAC1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea
SMILESCN(C)C(=S)NC(=S)N(C)N1CCCC1
InChIInChI=1S/C9H18N4S2/c1-11(2)8(14)10-9(15)12(3)13-6-4-5-7-13/h4-7H2,1-3H3,(H,10,14,15)
InChIKeyLAQADGVMRCAKGF-UHFFFAOYSA-N
MW246.40 g/mol
LogP0.65
Rot. Bonds1

About 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea

1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea (PubChem CID 88822040) has the molecular formula C9H18N4S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea.

Molecular Properties

Compound Name1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea
PubChem CID88822040
Molecular FormulaC9H18N4S2
Molecular Weight246.40 g/mol
Exact Mass246.10
IUPAC Name1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea
SMILESCN(C)C(=S)NC(=S)N(C)N1CCCC1
InChIInChI=1S/C9H18N4S2/c1-11(2)8(14)10-9(15)12(3)13-6-4-5-7-13/h4-7H2,1-3H3,(H,10,14,15)
InChIKeyLAQADGVMRCAKGF-UHFFFAOYSA-N
XLogP0.65
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(dimethylcarbamothioyl)-2,3-dimethylpyrazolidine-1-carbothioamide
CID 56986642
1-[3-(Diethylamino)propyl]-1-(dimethylamino)-3-(dimethylcarbamothioyl)thiourea
CID 57044620
N-(dimethylcarbamothioyl)-2-propylpyrazolidine-1-carbothioamide
CID 57074986
N-(dimethylcarbamothioyl)-2,5-dimethylpyrazolidine-1-carbothioamide
CID 57117951
N-(dimethylcarbamothioyl)-2-hexyl-3-methylpyrazolidine-1-carbothioamide
CID 57157956
1,3-Dibutyl-1-(2-sulfanylideneimidazolidin-1-yl)thiourea
CID 57248957
1,1-Dimethyl-3-[pyrrolidin-1-yl(2-pyrrolidin-1-ylethyl)carbamothioyl]thiourea
CID 57287660
3-(Dimethylcarbamothioyl)-1-[ethyl(hexyl)amino]-1-methylthiourea
CID 88822069
1,1-Bis(diethylamino)-3-(dimethylcarbamothioyl)thiourea
CID 88822084
1-[2-(Dimethylamino)ethyl]-3-(dimethylcarbamothioyl)-1-pyrrolidin-1-ylthiourea
CID 88822502
3-[4-(1,5-Dimethyl-3-sulfanylidene-1,2,4-triazolidin-4-yl)butyl]-1,1-diethylthiourea
CID 22947562

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea?
The IUPAC name of 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea (CID 88822040) is 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea.
What is the SMILES notation for 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea?
The canonical SMILES for 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea is CN(C)C(=S)NC(=S)N(C)N1CCCC1.
What is the InChIKey of 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea?
The InChIKey is LAQADGVMRCAKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S2/c1-11(2)8(14)10-9(15)12(3)13-6-4-5-7-13/h4-7H2,1-3H3,(H,10,14,15).
What are the key properties of 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea?
1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea has a molecular weight of 246.40 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[methyl(pyrrolidin-1-yl)carbamothioyl]thiourea is sourced from PubChem (CID 88822040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).