(2-methoxycyclopentyl) carbamimidothioate

C7H14N2OS — CID 130587171

IUPAC(2-methoxycyclopentyl) carbamimidothioate
SMILES[H]/N=C(\N)SC1CCCC1OC
InChIInChI=1S/C7H14N2OS/c1-10-5-3-2-4-6(5)11-7(8)9/h5-6H,2-4H2,1H3,(H3,8,9)
InChIKeyHVTJEOWUJFMEOC-UHFFFAOYSA-N
MW174.27 g/mol
LogP1.18
Rot. Bonds2

About (2-methoxycyclopentyl) carbamimidothioate

(2-methoxycyclopentyl) carbamimidothioate (PubChem CID 130587171) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is (2-methoxycyclopentyl) carbamimidothioate.

Molecular Properties

Compound Name(2-methoxycyclopentyl) carbamimidothioate
PubChem CID130587171
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name(2-methoxycyclopentyl) carbamimidothioate
SMILES[H]/N=C(\N)SC1CCCC1OC
InChIInChI=1S/C7H14N2OS/c1-10-5-3-2-4-6(5)11-7(8)9/h5-6H,2-4H2,1H3,(H3,8,9)
InChIKeyHVTJEOWUJFMEOC-UHFFFAOYSA-N
XLogP1.18
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2-methoxycyclopentyl) carbamimidothioate 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

cycloheptyl carbamimidothioate
CID 82935855
cyclohexyl carbamimidothioate;hydrobromide
CID 13257205
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
(1-methylpiperidin-4-yl) carbamimidothioate
CID 164875555
cyclohexyl carbamimidothioate;oxalonitrile
CID 162013325
trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine
CID 129113118
(2-methoxycyclopentyl)methanamine
CID 43428752
methanol;methyl carbamimidothioate
CID 174859349
(1S,2S,6S)-2-bromo-6-methoxycyclohexan-1-ol
CID 130865880
ethane;2-methoxycyclopentan-1-ol
CID 177178786
(4-methyl-1,1-dioxothiolan-3-yl) carbamimidothioate;sulfuric acid
CID 45048013
(3S)-3-methoxypiperidine-1-carboximidamide
CID 129383624

Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclopentyl) carbamimidothioate?
The IUPAC name of (2-methoxycyclopentyl) carbamimidothioate (CID 130587171) is (2-methoxycyclopentyl) carbamimidothioate.
What is the SMILES notation for (2-methoxycyclopentyl) carbamimidothioate?
The canonical SMILES for (2-methoxycyclopentyl) carbamimidothioate is [H]/N=C(\N)SC1CCCC1OC.
What is the InChIKey of (2-methoxycyclopentyl) carbamimidothioate?
The InChIKey is HVTJEOWUJFMEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-10-5-3-2-4-6(5)11-7(8)9/h5-6H,2-4H2,1H3,(H3,8,9).
What are the key properties of (2-methoxycyclopentyl) carbamimidothioate?
(2-methoxycyclopentyl) carbamimidothioate has a molecular weight of 174.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclopentyl) carbamimidothioate is sourced from PubChem (CID 130587171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).