2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine

C5H16N2OS — CID 122550822

IUPAC2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine
SMILESCNCCS(C)(C)(N)=O
InChIInChI=1S/C5H16N2OS/c1-7-4-5-9(2,3,6)8/h7H,4-5H2,1-3H3,(H2,6,8)
InChIKeyFVDJWTQAGWEXBK-UHFFFAOYSA-N
MW152.26 g/mol
LogP-0.84
Rot. Bonds3

About 2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine

2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine (PubChem CID 122550822) has the molecular formula C5H16N2OS and a molecular weight of 152.26 g/mol. Its IUPAC name is 2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine
PubChem CID122550822
Molecular FormulaC5H16N2OS
Molecular Weight152.26 g/mol
Exact Mass152.10
IUPAC Name2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine
SMILESCNCCS(C)(C)(N)=O
InChIInChI=1S/C5H16N2OS/c1-7-4-5-9(2,3,6)8/h7H,4-5H2,1-3H3,(H2,6,8)
InChIKeyFVDJWTQAGWEXBK-UHFFFAOYSA-N
XLogP-0.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Aminoethyl)(methyl)(methylimino)-lambda6-sulfanone
CID 119056976
[(2-Aminoethyl)imino](ethyl)methyl-lambda6-sulfanone
CID 131002982
(Azetidin-3-yl)(imino)methyl-lambda6-sulfanone
CID 132081669
2-(S-Methylsulfonimidoyl)ethanamine
CID 135313925
N-(fluoromethyl)-2-methylsulfinylethanamine
CID 143208165
N-methyl-2-(methylsulfinyl)ethanamine
CID 53804157
N-ethyl-2-methylsulfinylethanamine
CID 54366498
N-(ethyl-dimethyl-oxo-lambda6-sulfanyl)ethanamine
CID 57294750
[2-(Ethylsulfinyl)ethyl]methylamine
CID 64650879
N-ethyl-2-propan-2-ylsulfinylethanamine
CID 64655800
N-methyl-2-[2-(methylamino)ethylsulfonyl]ethanamine
CID 88515570
N-methyl-2-[(S)-methylsulfinyl]ethanamine
CID 94830733

Frequently Asked Questions

What is the IUPAC name of 2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine?
The IUPAC name of 2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine (CID 122550822) is 2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine.
What is the SMILES notation for 2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine?
The canonical SMILES for 2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine is CNCCS(C)(C)(N)=O.
What is the InChIKey of 2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine?
The InChIKey is FVDJWTQAGWEXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N2OS/c1-7-4-5-9(2,3,6)8/h7H,4-5H2,1-3H3,(H2,6,8).
What are the key properties of 2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine?
2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine has a molecular weight of 152.26 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(amino-dimethyl-oxo-λ6-sulfanyl)-N-methylethanamine is sourced from PubChem (CID 122550822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).