(E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione

C10H18N2S — CID 15473911

IUPAC(E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione
SMILESCN(C)/C=C/C(=S)N1CCCCC1
InChIInChI=1S/C10H18N2S/c1-11(2)9-6-10(13)12-7-4-3-5-8-12/h6,9H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyCBFDGUONABZYBH-RMKNXTFCSA-N
MW198.34 g/mol
LogP1.88
Rot. Bonds2

About (E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione

(E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione (PubChem CID 15473911) has the molecular formula C10H18N2S and a molecular weight of 198.34 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione
PubChem CID15473911
Molecular FormulaC10H18N2S
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC Name(E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione
SMILESCN(C)/C=C/C(=S)N1CCCCC1
InChIInChI=1S/C10H18N2S/c1-11(2)9-6-10(13)12-7-4-3-5-8-12/h6,9H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyCBFDGUONABZYBH-RMKNXTFCSA-N
XLogP1.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-1-ylprop-2-ene-1-thione
CID 167111795
(E)-1-cyclobutyl-3-(dimethylamino)prop-2-en-1-one
CID 131242801
cadmium(2+);bis(piperidine-1-carbodithioate)
CID 4196090
N-methyl-1-piperidin-1-yl-N-(1-piperidin-1-ylethenyl)ethenamine
CID 90055868
(2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate
CID 54534982
N-ethyl-3,3-di(piperidin-1-yl)prop-2-enethioamide
CID 134923720
(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine
CID 142593526
N-propylazepane-1-carbothioamide
CID 19654131
1-[4-(dimethylamino)but-2-enoyl]piperidine-3-carboxylic acid
CID 138491070
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
1-(azonan-1-yl)but-2-en-1-one
CID 174056806
(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;1-methylazepane
CID 143599664

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione?
The IUPAC name of (E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione (CID 15473911) is (E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione.
What is the SMILES notation for (E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione?
The canonical SMILES for (E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione is CN(C)/C=C/C(=S)N1CCCCC1.
What is the InChIKey of (E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione?
The InChIKey is CBFDGUONABZYBH-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18N2S/c1-11(2)9-6-10(13)12-7-4-3-5-8-12/h6,9H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of (E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione?
(E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione has a molecular weight of 198.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-piperidin-1-ylprop-2-ene-1-thione is sourced from PubChem (CID 15473911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).