(2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate

C14H20N2O2S — CID 8775602

IUPAC(2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate
SMILESCOc1ccccc1CS/C(N)=N/C[C@@H]1CCCO1
InChIInChI=1S/C14H20N2O2S/c1-17-13-7-3-2-5-11(13)10-19-14(15)16-9-12-6-4-8-18-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H2,15,16)/t12-/m0/s1
InChIKeyCWHKTVKPWCWXEQ-LBPRGKRZSA-N
MW280.39 g/mol
LogP2.42
Rot. Bonds5

About (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate

(2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate (PubChem CID 8775602) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate
PubChem CID8775602
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate
SMILESCOc1ccccc1CS/C(N)=N/C[C@@H]1CCCO1
InChIInChI=1S/C14H20N2O2S/c1-17-13-7-3-2-5-11(13)10-19-14(15)16-9-12-6-4-8-18-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H2,15,16)/t12-/m0/s1
InChIKeyCWHKTVKPWCWXEQ-LBPRGKRZSA-N
XLogP2.42
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]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

(4-methylsulfanylphenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate
CID 8775607
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
2-methoxy-6-(oxolan-2-ylmethyl)aniline
CID 105460600
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111339978
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138447
(2-methylphenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
CID 8776504
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl N'-(oxolan-2-ylmethyl)carbamimidothioate
CID 56827678
1-(2,5-dimethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]guanidine
CID 122097343
N'-[2-(2-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 106262569
1-(2,5-dimethoxyphenyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111022958

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate?
The IUPAC name of (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate (CID 8775602) is (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate.
What is the SMILES notation for (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate?
The canonical SMILES for (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate is COc1ccccc1CS/C(N)=N/C[C@@H]1CCCO1.
What is the InChIKey of (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate?
The InChIKey is CWHKTVKPWCWXEQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-17-13-7-3-2-5-11(13)10-19-14(15)16-9-12-6-4-8-18-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H2,15,16)/t12-/m0/s1.
What are the key properties of (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate?
(2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate has a molecular weight of 280.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl N'-[[(2S)-oxolan-2-yl]methyl]carbamimidothioate is sourced from PubChem (CID 8775602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).