(E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine

C9H18N2S — CID 166143943

IUPAC(E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine
SMILESCN(C)C/C=C/SN1CCCC1
InChIInChI=1S/C9H18N2S/c1-10(2)6-5-9-12-11-7-3-4-8-11/h5,9H,3-4,6-8H2,1-2H3/b9-5+
InChIKeyXEIBSJHAJMLPBZ-WEVVVXLNSA-N
MW186.32 g/mol
LogP1.81
Rot. Bonds4

About (E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine

(E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine (PubChem CID 166143943) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine
PubChem CID166143943
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine
SMILESCN(C)C/C=C/SN1CCCC1
InChIInChI=1S/C9H18N2S/c1-10(2)6-5-9-12-11-7-3-4-8-11/h5,9H,3-4,6-8H2,1-2H3/b9-5+
InChIKeyXEIBSJHAJMLPBZ-WEVVVXLNSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Pyrrolidin-1-ylprop-2-ene-1-thiol
CID 87606252
1-Prop-2-enylpyrrolidine-3-thiol
CID 87670206
1-methyl-2,5-dihydropyrrole;2-methyl-3H-1,2-thiazole
CID 143282413
1-[(E)-3-methylsulfanylprop-2-enyl]pyrrolidine
CID 156519991
Dimethyl-prop-2-enyl-pyrrolidin-1-yl-lambda4-sulfane
CID 170210014
3-Pyrrolidin-1-ylprop-1-ene-1-thiol
CID 173118601
1-Prop-2-enylpyrrolidine-2-thiol
CID 174312220
4-Pyrrolidin-1-ylbut-2-ene-1-thiol
CID 80018450
4-[Methyl(2-pyrrolidin-1-ylethyl)amino]but-2-ene-1-thiol
CID 80025075
N,N-dibutyl-3H-dithiol-3-amine
CID 88510418
(E)-4-pyrrolidin-1-ylbut-2-ene-1-thiol
CID 133678046
1-[(E)-prop-1-enyl]sulfanylpyrrolidine
CID 168983806

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine (CID 166143943) is (E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine is CN(C)C/C=C/SN1CCCC1.
What is the InChIKey of (E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine?
The InChIKey is XEIBSJHAJMLPBZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H18N2S/c1-10(2)6-5-9-12-11-7-3-4-8-11/h5,9H,3-4,6-8H2,1-2H3/b9-5+.
What are the key properties of (E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine?
(E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine has a molecular weight of 186.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-pyrrolidin-1-ylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 166143943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).