1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol

C5H13NO2S2 — CID 58273336

IUPAC1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol
SMILESCN(C(O)CS)C(O)CS
InChIInChI=1S/C5H13NO2S2/c1-6(4(7)2-9)5(8)3-10/h4-5,7-10H,2-3H2,1H3
InChIKeyYHWWUWKADMDZPB-UHFFFAOYSA-N
MW183.30 g/mol
LogP-0.59
Rot. Bonds4

About 1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol

1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol (PubChem CID 58273336) has the molecular formula C5H13NO2S2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol.

Molecular Properties

Compound Name1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol
PubChem CID58273336
Molecular FormulaC5H13NO2S2
Molecular Weight183.30 g/mol
Exact Mass183.04
IUPAC Name1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol
SMILESCN(C(O)CS)C(O)CS
InChIInChI=1S/C5H13NO2S2/c1-6(4(7)2-9)5(8)3-10/h4-5,7-10H,2-3H2,1H3
InChIKeyYHWWUWKADMDZPB-UHFFFAOYSA-N
XLogP-0.59
TPSA43.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[bis(1-hydroxyethyl)amino]-2-sulfanylethanol
CID 57313457
(2R)-1-(dimethylamino)-3-sulfanylpropan-2-ol
CID 164542247
1-[1-hydroxypentyl(methyl)amino]pentan-1-ol
CID 87112081
CID 87134159
CID 87134159
1-[1-hydroxyoctyl(methyl)amino]octan-1-ol
CID 57193649
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane
CID 90205919
CID 172754497
CID 172754497
4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
CID 159039926
1-[butan-2-yl(methyl)amino]butan-1-ol
CID 88539687
(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol
CID 3053653
1-[1-hydroxyethyl(methyl)amino]ethanol;hydrate
CID 173435253
(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid;dihydrochloride
CID 88518958

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol?
The IUPAC name of 1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol (CID 58273336) is 1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol.
What is the SMILES notation for 1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol?
The canonical SMILES for 1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol is CN(C(O)CS)C(O)CS.
What is the InChIKey of 1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol?
The InChIKey is YHWWUWKADMDZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S2/c1-6(4(7)2-9)5(8)3-10/h4-5,7-10H,2-3H2,1H3.
What are the key properties of 1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol?
1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol has a molecular weight of 183.30 g/mol, XLogP of -0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2-sulfanylethyl)-methylamino]-2-sulfanylethanol is sourced from PubChem (CID 58273336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).