2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide

C16H24N2O2S — CID 61434361

IUPAC2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
SMILESCCN(CCOc1ccccc1C(N)=S)CC1CCCO1
InChIInChI=1S/C16H24N2O2S/c1-2-18(12-13-6-5-10-19-13)9-11-20-15-8-4-3-7-14(15)16(17)21/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H2,17,21)
InChIKeyRMEAAMJSSCKFLC-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.20
Rot. Bonds8

About 2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide

2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide (PubChem CID 61434361) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide.

Molecular Properties

Compound Name2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
PubChem CID61434361
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
SMILESCCN(CCOc1ccccc1C(N)=S)CC1CCCO1
InChIInChI=1S/C16H24N2O2S/c1-2-18(12-13-6-5-10-19-13)9-11-20-15-8-4-3-7-14(15)16(17)21/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H2,17,21)
InChIKeyRMEAAMJSSCKFLC-UHFFFAOYSA-N
XLogP2.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 61432572
1-[2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 61434391
2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide
CID 61448716
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879246
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
4-[ethyl(oxolan-2-ylmethyl)amino]-2-methylbenzenecarbothioamide
CID 81276787
2-[3-[methyl(oxolan-3-yl)amino]propoxy]benzenecarbothioamide
CID 82737803
5-bromo-2-[3-(oxolan-2-yl)propoxy]benzenecarbothioamide
CID 83146040
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82981600
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzenecarbothioamide
CID 104552086

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide?
The IUPAC name of 2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide (CID 61434361) is 2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide.
What is the SMILES notation for 2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide?
The canonical SMILES for 2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide is CCN(CCOc1ccccc1C(N)=S)CC1CCCO1.
What is the InChIKey of 2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide?
The InChIKey is RMEAAMJSSCKFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-18(12-13-6-5-10-19-13)9-11-20-15-8-4-3-7-14(15)16(17)21/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H2,17,21).
What are the key properties of 2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide?
2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide has a molecular weight of 308.45 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide is sourced from PubChem (CID 61434361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).