2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate

C10H17N3O3S — CID 83203503

IUPAC2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C10H17N3O3S/c11-7(17)10(3-1-2-4-10)8(14)13-5-6-16-9(12)15/h1-6H2,(H2,11,17)(H2,12,15)(H,13,14)
InChIKeySBGBTZLLXFZJDI-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.04
Rot. Bonds5

About 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate

2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate (PubChem CID 83203503) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
PubChem CID83203503
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)C1(C(N)=S)CCCC1
InChIInChI=1S/C10H17N3O3S/c11-7(17)10(3-1-2-4-10)8(14)13-5-6-16-9(12)15/h1-6H2,(H2,11,17)(H2,12,15)(H,13,14)
InChIKeySBGBTZLLXFZJDI-UHFFFAOYSA-N
XLogP0.04
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate 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-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
CID 63828489
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-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 62379855
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271
2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
CID 83211898
1-carbamothioyl-N-(2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 115407173
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 80589534
1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide
CID 113494789
1-carbamothioyl-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106009983
1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 114107998
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
CID 104597200

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate (CID 83203503) is 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate is NC(=O)OCCNC(=O)C1(C(N)=S)CCCC1.
What is the InChIKey of 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate?
The InChIKey is SBGBTZLLXFZJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c11-7(17)10(3-1-2-4-10)8(14)13-5-6-16-9(12)15/h1-6H2,(H2,11,17)(H2,12,15)(H,13,14).
What are the key properties of 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate?
2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate has a molecular weight of 259.33 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carbamothioylcyclopentanecarbonyl)amino]ethyl carbamate is sourced from PubChem (CID 83203503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).