(2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium

C6H15N2OS+ — CID 146629325

IUPAC(2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)CC(N)=S
InChIInChI=1S/C6H14N2OS/c1-8(2,3-4-9)5-6(7)10/h9H,3-5H2,1-2H3,(H-,7,10)/p+1
InChIKeyRRVLCHLEZVPQDK-UHFFFAOYSA-O
MW163.27 g/mol
LogP-0.66
Rot. Bonds4

About (2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium

(2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium (PubChem CID 146629325) has the molecular formula C6H15N2OS+ and a molecular weight of 163.27 g/mol. Its IUPAC name is (2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name(2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium
PubChem CID146629325
Molecular FormulaC6H15N2OS+
Molecular Weight163.27 g/mol
Exact Mass163.09
IUPAC Name(2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)CC(N)=S
InChIInChI=1S/C6H14N2OS/c1-8(2,3-4-9)5-6(7)10/h9H,3-5H2,1-2H3,(H-,7,10)/p+1
InChIKeyRRVLCHLEZVPQDK-UHFFFAOYSA-O
XLogP-0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,N-di(2-hydroxyethyl)dithiooxamide
CID 54534288
N~1~-(2-Hydroxyethyl)ethanebis(thioamide)
CID 3880839
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]ethanethioamide
CID 107479914
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanethioamide
CID 107479952
2-(2-Hydroxyethylamino)ethanethioamide
CID 123791584
3-[2-Hydroxyethyl(methyl)amino]propanethioamide
CID 28492271
2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanethioamide
CID 39160386
2-[Ethyl(2-hydroxyethyl)amino]ethanethioamide
CID 39160393
2-[2-Hydroxyethyl(methyl)amino]ethanethioamide
CID 39160398
3-[Ethyl(2-hydroxyethyl)amino]propanethioamide
CID 39160759
4-[2-Hydroxyethyl(methyl)amino]butanethioamide
CID 60960502
2-[Bis(2-hydroxyethyl)amino]ethanethioamide
CID 61235976

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of (2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium (CID 146629325) is (2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for (2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for (2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium is C[N+](C)(CCO)CC(N)=S.
What is the InChIKey of (2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is RRVLCHLEZVPQDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2OS/c1-8(2,3-4-9)5-6(7)10/h9H,3-5H2,1-2H3,(H-,7,10)/p+1.
What are the key properties of (2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium?
(2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 163.27 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-sulfanylideneethyl)-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 146629325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).