N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine

C2H11N3O2S — CID 169235450

IUPACN'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine
SMILESNCCNS(N)(O)O
InChIInChI=1S/C2H11N3O2S/c3-1-2-5-8(4,6)7/h5-7H,1-4H2
InChIKeyOVLAMUDTYZJJJV-UHFFFAOYSA-N
MW141.20 g/mol
LogP-0.93
Rot. Bonds3

About N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine

N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine (PubChem CID 169235450) has the molecular formula C2H11N3O2S and a molecular weight of 141.20 g/mol. Its IUPAC name is N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine
PubChem CID169235450
Molecular FormulaC2H11N3O2S
Molecular Weight141.20 g/mol
Exact Mass141.06
IUPAC NameN'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine
SMILESNCCNS(N)(O)O
InChIInChI=1S/C2H11N3O2S/c3-1-2-5-8(4,6)7/h5-7H,1-4H2
InChIKeyOVLAMUDTYZJJJV-UHFFFAOYSA-N
XLogP-0.93
TPSA104.53 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 5-0.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine?
The IUPAC name of N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine (CID 169235450) is N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine?
The canonical SMILES for N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine is NCCNS(N)(O)O.
What is the InChIKey of N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine?
The InChIKey is OVLAMUDTYZJJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H11N3O2S/c3-1-2-5-8(4,6)7/h5-7H,1-4H2.
What are the key properties of N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine?
N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine has a molecular weight of 141.20 g/mol, XLogP of -0.93, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(dihydroxy)-λ4-sulfanyl]ethane-1,2-diamine is sourced from PubChem (CID 169235450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).