N'-hydroxysulfanyl-N-methylethane-1,2-diamine

C3H10N2OS — CID 89126614

IUPACN'-hydroxysulfanyl-N-methylethane-1,2-diamine
SMILESCNCCNSO
InChIInChI=1S/C3H10N2OS/c1-4-2-3-5-7-6/h4-6H,2-3H2,1H3
InChIKeyJIQMSLPFKUUVLW-UHFFFAOYSA-N
MW122.19 g/mol
LogP-0.08
Rot. Bonds4

About N'-hydroxysulfanyl-N-methylethane-1,2-diamine

N'-hydroxysulfanyl-N-methylethane-1,2-diamine (PubChem CID 89126614) has the molecular formula C3H10N2OS and a molecular weight of 122.19 g/mol. Its IUPAC name is N'-hydroxysulfanyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-hydroxysulfanyl-N-methylethane-1,2-diamine
PubChem CID89126614
Molecular FormulaC3H10N2OS
Molecular Weight122.19 g/mol
Exact Mass122.05
IUPAC NameN'-hydroxysulfanyl-N-methylethane-1,2-diamine
SMILESCNCCNSO
InChIInChI=1S/C3H10N2OS/c1-4-2-3-5-7-6/h4-6H,2-3H2,1H3
InChIKeyJIQMSLPFKUUVLW-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxysulfanyl-N-methylpropane-1,3-diamine
CID 143100664
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
N'-hydroxysulfanylethane-1,2-diamine
CID 89205036
N-hydroxysulfanylhexan-1-amine
CID 89110477
[2-(methylamino)ethylamino]methanol
CID 58963756
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
dichlorozirconium;2-(methylamino)ethanol
CID 174434300
2-(methylamino)ethanol;platinum
CID 174353574
ethane;N-[2-(methylamino)ethyl]thiohydroxylamine
CID 153374954
2-(methylamino)ethanol;nobelium
CID 59962769
methane;2-(methylamino)ethanol
CID 158004537
N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
CID 61168461

Frequently Asked Questions

What is the IUPAC name of N'-hydroxysulfanyl-N-methylethane-1,2-diamine?
The IUPAC name of N'-hydroxysulfanyl-N-methylethane-1,2-diamine (CID 89126614) is N'-hydroxysulfanyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-hydroxysulfanyl-N-methylethane-1,2-diamine?
The canonical SMILES for N'-hydroxysulfanyl-N-methylethane-1,2-diamine is CNCCNSO.
What is the InChIKey of N'-hydroxysulfanyl-N-methylethane-1,2-diamine?
The InChIKey is JIQMSLPFKUUVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2OS/c1-4-2-3-5-7-6/h4-6H,2-3H2,1H3.
What are the key properties of N'-hydroxysulfanyl-N-methylethane-1,2-diamine?
N'-hydroxysulfanyl-N-methylethane-1,2-diamine has a molecular weight of 122.19 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxysulfanyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 89126614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).