methyl N-(cyclopropylcarbamothioylamino)carbamate

C6H11N3O2S — CID 18923830

IUPACmethyl N-(cyclopropylcarbamothioylamino)carbamate
SMILESCOC(=O)NNC(=S)NC1CC1
InChIInChI=1S/C6H11N3O2S/c1-11-6(10)9-8-5(12)7-4-2-3-4/h4H,2-3H2,1H3,(H,9,10)(H2,7,8,12)
InChIKeyQCABFFZHJCGYLY-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.12
Rot. Bonds1

About methyl N-(cyclopropylcarbamothioylamino)carbamate

methyl N-(cyclopropylcarbamothioylamino)carbamate (PubChem CID 18923830) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is methyl N-(cyclopropylcarbamothioylamino)carbamate.

Molecular Properties

Compound Namemethyl N-(cyclopropylcarbamothioylamino)carbamate
PubChem CID18923830
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Namemethyl N-(cyclopropylcarbamothioylamino)carbamate
SMILESCOC(=O)NNC(=S)NC1CC1
InChIInChI=1S/C6H11N3O2S/c1-11-6(10)9-8-5(12)7-4-2-3-4/h4H,2-3H2,1H3,(H,9,10)(H2,7,8,12)
InChIKeyQCABFFZHJCGYLY-UHFFFAOYSA-N
XLogP-0.12
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N-(cyclopropylcarbamothioylamino)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-(cyclopropylcarbamothioylamino)carbamate?
The IUPAC name of methyl N-(cyclopropylcarbamothioylamino)carbamate (CID 18923830) is methyl N-(cyclopropylcarbamothioylamino)carbamate.
What is the SMILES notation for methyl N-(cyclopropylcarbamothioylamino)carbamate?
The canonical SMILES for methyl N-(cyclopropylcarbamothioylamino)carbamate is COC(=O)NNC(=S)NC1CC1.
What is the InChIKey of methyl N-(cyclopropylcarbamothioylamino)carbamate?
The InChIKey is QCABFFZHJCGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-11-6(10)9-8-5(12)7-4-2-3-4/h4H,2-3H2,1H3,(H,9,10)(H2,7,8,12).
What are the key properties of methyl N-(cyclopropylcarbamothioylamino)carbamate?
methyl N-(cyclopropylcarbamothioylamino)carbamate has a molecular weight of 189.24 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(cyclopropylcarbamothioylamino)carbamate is sourced from PubChem (CID 18923830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).