2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine

C9H20N2S — CID 103068678

IUPAC2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CSCCN(C)C
InChIInChI=1S/C9H20N2S/c1-9(7-10-2)8-12-6-5-11(3)4/h10H,1,5-8H2,2-4H3
InChIKeyBKLWUPRSBUXKGF-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.06
Rot. Bonds7

About 2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine

2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine (PubChem CID 103068678) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine
PubChem CID103068678
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CSCCN(C)C
InChIInChI=1S/C9H20N2S/c1-9(7-10-2)8-12-6-5-11(3)4/h10H,1,5-8H2,2-4H3
InChIKeyBKLWUPRSBUXKGF-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
1-butylidene-N,3-dimethyl-2H-thiet-2-amine
CID 123663082
N,2-dimethyl-1-propan-2-ylsulfanylprop-2-en-1-amine
CID 124201240
N-tert-butyl-2-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]sulfanylprop-2-en-1-amine
CID 170194065
2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine
CID 63966724
2-(2-methylpropylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068140
N-methyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
CID 103068141
N-ethyl-2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
CID 103068145
2-(tert-butylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068168
2-(tert-butylsulfanylmethyl)-N-methylprop-2-en-1-amine
CID 103068169
2-(tert-butylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068170

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine (CID 103068678) is 2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine is C=C(CNC)CSCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine?
The InChIKey is BKLWUPRSBUXKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-9(7-10-2)8-12-6-5-11(3)4/h10H,1,5-8H2,2-4H3.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine?
2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine has a molecular weight of 188.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103068678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).