1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine

C8H14N2S — CID 134600338

IUPAC1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine
SMILESC=C(N)SC1=C(C)CCNC1
InChIInChI=1S/C8H14N2S/c1-6-3-4-10-5-8(6)11-7(2)9/h10H,2-5,9H2,1H3
InChIKeyONVQRZULVFPMNY-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.42
Rot. Bonds2

About 1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine

1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine (PubChem CID 134600338) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine.

Molecular Properties

Compound Name1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine
PubChem CID134600338
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine
SMILESC=C(N)SC1=C(C)CCNC1
InChIInChI=1S/C8H14N2S/c1-6-3-4-10-5-8(6)11-7(2)9/h10H,2-5,9H2,1H3
InChIKeyONVQRZULVFPMNY-UHFFFAOYSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine?
The IUPAC name of 1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine (CID 134600338) is 1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine.
What is the SMILES notation for 1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine?
The canonical SMILES for 1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine is C=C(N)SC1=C(C)CCNC1.
What is the InChIKey of 1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine?
The InChIKey is ONVQRZULVFPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6-3-4-10-5-8(6)11-7(2)9/h10H,2-5,9H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine?
1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine has a molecular weight of 170.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)sulfanyl]ethenamine is sourced from PubChem (CID 134600338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).