N-(hydroxysulfonothioylmethyl)ethanamine

C3H9NO2S2 — CID 54230974

IUPACN-(hydroxysulfonothioylmethyl)ethanamine
SMILESCCNCS(=O)(O)=S
InChIInChI=1S/C3H9NO2S2/c1-2-4-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKeyQJFVVKJMCLPLJN-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.23
Rot. Bonds3

About N-(hydroxysulfonothioylmethyl)ethanamine

N-(hydroxysulfonothioylmethyl)ethanamine (PubChem CID 54230974) has the molecular formula C3H9NO2S2 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(hydroxysulfonothioylmethyl)ethanamine.

Molecular Properties

Compound NameN-(hydroxysulfonothioylmethyl)ethanamine
PubChem CID54230974
Molecular FormulaC3H9NO2S2
Molecular Weight155.24 g/mol
Exact Mass155.01
IUPAC NameN-(hydroxysulfonothioylmethyl)ethanamine
SMILESCCNCS(=O)(O)=S
InChIInChI=1S/C3H9NO2S2/c1-2-4-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKeyQJFVVKJMCLPLJN-UHFFFAOYSA-N
XLogP-0.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanamine, N-ethyl-, methanesulfonate (1:1)
CID 44149223
Methylaminoathansulfosaure
CID 18457603
Ethylaminomethanesulfonic acid
CID 12731395
2-(Methylamino)ethanesulfinic acid
CID 18740582
2-hydroxysulfonothioyl-N-methylethanamine
CID 53999085
Propylaminomethanesulfonic acid
CID 54198060
Ethanamine;hydroxy-methyl-oxo-sulfanylidene-lambda6-sulfane
CID 89808968
methanesulfinic acid;N-methylethanamine
CID 143093563
1-(Sulfanylmethylamino)ethanesulfonic acid
CID 151053617
1-(Methylamino)ethane-1,2-disulfonic acid
CID 151957094
Ethylaminomethanesulfinate
CID 152161377
Propylaminomethanesulfinic acid
CID 154347890

Frequently Asked Questions

What is the IUPAC name of N-(hydroxysulfonothioylmethyl)ethanamine?
The IUPAC name of N-(hydroxysulfonothioylmethyl)ethanamine (CID 54230974) is N-(hydroxysulfonothioylmethyl)ethanamine.
What is the SMILES notation for N-(hydroxysulfonothioylmethyl)ethanamine?
The canonical SMILES for N-(hydroxysulfonothioylmethyl)ethanamine is CCNCS(=O)(O)=S.
What is the InChIKey of N-(hydroxysulfonothioylmethyl)ethanamine?
The InChIKey is QJFVVKJMCLPLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S2/c1-2-4-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7).
What are the key properties of N-(hydroxysulfonothioylmethyl)ethanamine?
N-(hydroxysulfonothioylmethyl)ethanamine has a molecular weight of 155.24 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxysulfonothioylmethyl)ethanamine is sourced from PubChem (CID 54230974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).