1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide

C11H20N2O2S — CID 82940735

IUPAC1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide
SMILESCCCOCCCNC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C11H20N2O2S/c1-2-7-15-8-3-6-13-10(14)11(4-5-11)9(12)16/h2-8H2,1H3,(H2,12,16)(H,13,14)
InChIKeyBWOYJGZHQSMAJH-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.99
Rot. Bonds8

About 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide (PubChem CID 82940735) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide
PubChem CID82940735
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide
SMILESCCCOCCCNC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C11H20N2O2S/c1-2-7-15-8-3-6-13-10(14)11(4-5-11)9(12)16/h2-8H2,1H3,(H2,12,16)(H,13,14)
InChIKeyBWOYJGZHQSMAJH-UHFFFAOYSA-N
XLogP0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide 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

1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
1-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide
CID 80591543
1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761691
1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 80592590
1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
CID 80592274
2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
CID 83203503
1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 62379855
1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
CID 82942792
1-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
CID 63828489
N'-(3-propoxypropyl)butanediamide
CID 153375512
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983
3-butoxypropylurea
CID 115575573

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide (CID 82940735) is 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide is CCCOCCCNC(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide?
The InChIKey is BWOYJGZHQSMAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-2-7-15-8-3-6-13-10(14)11(4-5-11)9(12)16/h2-8H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 82940735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).