2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine

C7H15NO2S2 — CID 103068585

IUPAC2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CN)CSCCS(C)(=O)=O
InChIInChI=1S/C7H15NO2S2/c1-7(5-8)6-11-3-4-12(2,9)10/h1,3-6,8H2,2H3
InChIKeyNVGZVFHSEOEGJK-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.28
Rot. Bonds6

About 2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine

2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 103068585) has the molecular formula C7H15NO2S2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine
PubChem CID103068585
Molecular FormulaC7H15NO2S2
Molecular Weight209.34 g/mol
Exact Mass209.05
IUPAC Name2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CN)CSCCS(C)(=O)=O
InChIInChI=1S/C7H15NO2S2/c1-7(5-8)6-11-3-4-12(2,9)10/h1,3-6,8H2,2H3
InChIKeyNVGZVFHSEOEGJK-UHFFFAOYSA-N
XLogP0.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Methylsulfonyl)-2-propen-1-amine
CID 12356767
(E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
CID 19858178
3-Fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
CID 53998513
3-Aminopropen-2-yl butylsulfone
CID 12356769
(Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
CID 52914361
3-(2-Methylprop-2-enylsulfonyl)propan-1-amine
CID 58684037
2-(3-Methylbut-2-enylsulfonyl)ethanamine
CID 58684439
3-(2-Methylprop-2-enylsulfinyl)propan-1-amine
CID 58684491
2-(2-Methylprop-2-enylsulfinyl)ethanamine
CID 58684571
2-(2-Methylprop-2-enylsulfonyl)ethanamine
CID 58684849
2-[(E)-2-methylbut-2-enyl]sulfonylethanamine
CID 58685088
2-(2-Methylbut-2-enylsulfonyl)ethanamine
CID 72391415

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine (CID 103068585) is 2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine is C=C(CN)CSCCS(C)(=O)=O.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine?
The InChIKey is NVGZVFHSEOEGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S2/c1-7(5-8)6-11-3-4-12(2,9)10/h1,3-6,8H2,2H3.
What are the key properties of 2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine?
2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 209.34 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).