N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane

C6H19N3OS — CID 174822335

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane
SMILESCS(C)=O.NCCNCCN
InChIInChI=1S/C4H13N3.C2H6OS/c5-1-3-7-4-2-6;1-4(2)3/h7H,1-6H2;1-2H3
InChIKeyFZGZTIYESVXIPA-UHFFFAOYSA-N
MW181.31 g/mol
LogP-1.51
Rot. Bonds4

About N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane

N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane (PubChem CID 174822335) has the molecular formula C6H19N3OS and a molecular weight of 181.31 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane
PubChem CID174822335
Molecular FormulaC6H19N3OS
Molecular Weight181.31 g/mol
Exact Mass181.12
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane
SMILESCS(C)=O.NCCNCCN
InChIInChI=1S/C4H13N3.C2H6OS/c5-1-3-7-4-2-6;1-4(2)3/h7H,1-6H2;1-2H3
InChIKeyFZGZTIYESVXIPA-UHFFFAOYSA-N
XLogP-1.51
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.31
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethylsulfinylethyl)ethane-1,2-diamine
CID 130589076
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
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
CID 23344028
pentacalcium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);decaacetate
CID 173203921
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane (CID 174822335) is N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane is CS(C)=O.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane?
The InChIKey is FZGZTIYESVXIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.C2H6OS/c5-1-3-7-4-2-6;1-4(2)3/h7H,1-6H2;1-2H3.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane?
N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane has a molecular weight of 181.31 g/mol, XLogP of -1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;methylsulfinylmethane is sourced from PubChem (CID 174822335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).