2-(methylaminosulfanylamino)ethanol

C3H10N2OS — CID 162390041

IUPAC2-(methylaminosulfanylamino)ethanol
SMILESCNSNCCO
InChIInChI=1S/C3H10N2OS/c1-4-7-5-2-3-6/h4-6H,2-3H2,1H3
InChIKeyRQLBURBTMPGPJN-UHFFFAOYSA-N
MW122.19 g/mol
LogP-0.65
Rot. Bonds4

About 2-(methylaminosulfanylamino)ethanol

2-(methylaminosulfanylamino)ethanol (PubChem CID 162390041) has the molecular formula C3H10N2OS and a molecular weight of 122.19 g/mol. Its IUPAC name is 2-(methylaminosulfanylamino)ethanol.

Molecular Properties

Compound Name2-(methylaminosulfanylamino)ethanol
PubChem CID162390041
Molecular FormulaC3H10N2OS
Molecular Weight122.19 g/mol
Exact Mass122.05
IUPAC Name2-(methylaminosulfanylamino)ethanol
SMILESCNSNCCO
InChIInChI=1S/C3H10N2OS/c1-4-7-5-2-3-6/h4-6H,2-3H2,1H3
InChIKeyRQLBURBTMPGPJN-UHFFFAOYSA-N
XLogP-0.65
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(methylaminosulfanyl)propan-1-amine
CID 139439871
2-(methylamino)ethanol;platinum
CID 174353574
2-(methylamino)ethanol;nobelium
CID 59962769
methane;2-(methylamino)ethanol
CID 158004537
2-(2-hydroxyethylamino)ethanol;sulfur dioxide
CID 6454530
2-aminopropan-1-ol;2-(methylamino)ethanol
CID 159701933
N-(2-hydroxyethyl)-methylboronamidic acid
CID 59110557
hexane-1,6-diol;2-(methylamino)ethanol
CID 18353571
dioxotitanium;2-(methylamino)ethanol
CID 174872921
dichlorozirconium;2-(methylamino)ethanol
CID 174434300
carbonic acid;2-(methylamino)ethanol
CID 87131288
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminosulfanylamino)ethanol?
The IUPAC name of 2-(methylaminosulfanylamino)ethanol (CID 162390041) is 2-(methylaminosulfanylamino)ethanol.
What is the SMILES notation for 2-(methylaminosulfanylamino)ethanol?
The canonical SMILES for 2-(methylaminosulfanylamino)ethanol is CNSNCCO.
What is the InChIKey of 2-(methylaminosulfanylamino)ethanol?
The InChIKey is RQLBURBTMPGPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2OS/c1-4-7-5-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 2-(methylaminosulfanylamino)ethanol?
2-(methylaminosulfanylamino)ethanol has a molecular weight of 122.19 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminosulfanylamino)ethanol is sourced from PubChem (CID 162390041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).