2-hydroxysulfanyl-N-methylethanamine

C3H9NOS — CID 137386175

IUPAC2-hydroxysulfanyl-N-methylethanamine
SMILESCNCCSO
InChIInChI=1S/C3H9NOS/c1-4-2-3-6-5/h4-5H,2-3H2,1H3
InChIKeyIVMPVPYDPCQQMX-UHFFFAOYSA-N
MW107.18 g/mol
LogP0.41
Rot. Bonds3

About 2-hydroxysulfanyl-N-methylethanamine

2-hydroxysulfanyl-N-methylethanamine (PubChem CID 137386175) has the molecular formula C3H9NOS and a molecular weight of 107.18 g/mol. Its IUPAC name is 2-hydroxysulfanyl-N-methylethanamine.

Molecular Properties

Compound Name2-hydroxysulfanyl-N-methylethanamine
PubChem CID137386175
Molecular FormulaC3H9NOS
Molecular Weight107.18 g/mol
Exact Mass107.04
IUPAC Name2-hydroxysulfanyl-N-methylethanamine
SMILESCNCCSO
InChIInChI=1S/C3H9NOS/c1-4-2-3-6-5/h4-5H,2-3H2,1H3
InChIKeyIVMPVPYDPCQQMX-UHFFFAOYSA-N
XLogP0.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Methylamino)ethanesulfinic acid
CID 18740582
N-methyl-2-(trioxidanylsulfanyl)ethanamine
CID 59163419
2-[amino(dihydroxy)-lambda4-sulfanyl]-N-methylethanamine
CID 142366014
N-ethyl-3-hydroxysulfanylpropan-1-amine
CID 143236217
2-[dihydroxy(methyl)-lambda4-sulfanyl]-N-methylethanamine
CID 143254270
3-hydroxysulfanyl-N-methylpropan-1-amine
CID 145468207
4-hydroxysulfanyl-N-methylbutan-1-amine
CID 154545819
ethane;N-methyl-2-(trihydroxy-lambda4-sulfanyl)ethanamine
CID 164925277
[Dihydroxy(oxo)-lambda6-sulfanylidene]-[2-(methylamino)ethyl]sulfanium
CID 172830132
1-Hydroxysulfanylethanamine
CID 173299141
1-Hydroxysulfanylethanamine;hydrochloride
CID 175444414
N-methyl-3-(trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 176945332

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanyl-N-methylethanamine?
The IUPAC name of 2-hydroxysulfanyl-N-methylethanamine (CID 137386175) is 2-hydroxysulfanyl-N-methylethanamine.
What is the SMILES notation for 2-hydroxysulfanyl-N-methylethanamine?
The canonical SMILES for 2-hydroxysulfanyl-N-methylethanamine is CNCCSO.
What is the InChIKey of 2-hydroxysulfanyl-N-methylethanamine?
The InChIKey is IVMPVPYDPCQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NOS/c1-4-2-3-6-5/h4-5H,2-3H2,1H3.
What are the key properties of 2-hydroxysulfanyl-N-methylethanamine?
2-hydroxysulfanyl-N-methylethanamine has a molecular weight of 107.18 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanyl-N-methylethanamine is sourced from PubChem (CID 137386175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).