N'-hydroxysulfanylethane-1,2-diamine

C2H8N2OS — CID 89205036

IUPACN'-hydroxysulfanylethane-1,2-diamine
SMILESNCCNSO
InChIInChI=1S/C2H8N2OS/c3-1-2-4-6-5/h4-5H,1-3H2
InChIKeyCMBOPEJFYMJZFM-UHFFFAOYSA-N
MW108.17 g/mol
LogP-0.34
Rot. Bonds3

About N'-hydroxysulfanylethane-1,2-diamine

N'-hydroxysulfanylethane-1,2-diamine (PubChem CID 89205036) has the molecular formula C2H8N2OS and a molecular weight of 108.17 g/mol. Its IUPAC name is N'-hydroxysulfanylethane-1,2-diamine.

Molecular Properties

Compound NameN'-hydroxysulfanylethane-1,2-diamine
PubChem CID89205036
Molecular FormulaC2H8N2OS
Molecular Weight108.17 g/mol
Exact Mass108.04
IUPAC NameN'-hydroxysulfanylethane-1,2-diamine
SMILESNCCNSO
InChIInChI=1S/C2H8N2OS/c3-1-2-4-6-5/h4-5H,1-3H2
InChIKeyCMBOPEJFYMJZFM-UHFFFAOYSA-N
XLogP-0.34
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.17
LogP ≤ 5-0.34
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-methylethane-1,2-diamine
CID 89126614
N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid
CID 175486364
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
2-[2-(2-aminoethyl)hydrazinyl]ethanol
CID 87694422
N'-oxidoethane-1,2-diamine
CID 58480278
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
N-(2-aminoethyl)hydroxylamine;butane
CID 22159511
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
N'-(4,5,5-trichloropent-4-enyl)ethane-1,2-diamine
CID 90856144
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463

Frequently Asked Questions

What is the IUPAC name of N'-hydroxysulfanylethane-1,2-diamine?
The IUPAC name of N'-hydroxysulfanylethane-1,2-diamine (CID 89205036) is N'-hydroxysulfanylethane-1,2-diamine.
What is the SMILES notation for N'-hydroxysulfanylethane-1,2-diamine?
The canonical SMILES for N'-hydroxysulfanylethane-1,2-diamine is NCCNSO.
What is the InChIKey of N'-hydroxysulfanylethane-1,2-diamine?
The InChIKey is CMBOPEJFYMJZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2OS/c3-1-2-4-6-5/h4-5H,1-3H2.
What are the key properties of N'-hydroxysulfanylethane-1,2-diamine?
N'-hydroxysulfanylethane-1,2-diamine has a molecular weight of 108.17 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxysulfanylethane-1,2-diamine is sourced from PubChem (CID 89205036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).