2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide

C10H20N2OS — CID 65161112

IUPAC2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide
SMILESCCN(CCC1CCCO1)CC(N)=S
InChIInChI=1S/C10H20N2OS/c1-2-12(8-10(11)14)6-5-9-4-3-7-13-9/h9H,2-8H2,1H3,(H2,11,14)
InChIKeyMHBNNVLVYNLCAW-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.16
Rot. Bonds6

About 2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide

2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide (PubChem CID 65161112) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide.

Molecular Properties

Compound Name2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide
PubChem CID65161112
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide
SMILESCCN(CCC1CCCO1)CC(N)=S
InChIInChI=1S/C10H20N2OS/c1-2-12(8-10(11)14)6-5-9-4-3-7-13-9/h9H,2-8H2,1H3,(H2,11,14)
InChIKeyMHBNNVLVYNLCAW-UHFFFAOYSA-N
XLogP1.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
CID 77057992
3-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanethioamide
CID 65161267
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083
N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide
CID 65155966
ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
CID 65166216
2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65497652
2-[oxolan-2-ylmethylsulfonyl(propyl)amino]ethanethioamide
CID 55173354
5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide
CID 65260037
N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 65155863
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65155617
N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propylamino]ethanimidamide
CID 77057915

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide?
The IUPAC name of 2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide (CID 65161112) is 2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide.
What is the SMILES notation for 2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide?
The canonical SMILES for 2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide is CCN(CCC1CCCO1)CC(N)=S.
What is the InChIKey of 2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide?
The InChIKey is MHBNNVLVYNLCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-12(8-10(11)14)6-5-9-4-3-7-13-9/h9H,2-8H2,1H3,(H2,11,14).
What are the key properties of 2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide?
2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide has a molecular weight of 216.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide is sourced from PubChem (CID 65161112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).