sulfane;1,2,3,4-tetrahydropyridine

C5H11NS — CID 157375132

IUPACsulfane;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.S
InChIInChI=1S/C5H9N.H2S/c1-2-4-6-5-3-1;/h2,4,6H,1,3,5H2;1H2
InChIKeyKAIJOXROUNHOCT-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.00
Rot. Bonds

About sulfane;1,2,3,4-tetrahydropyridine

sulfane;1,2,3,4-tetrahydropyridine (PubChem CID 157375132) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is sulfane;1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Namesulfane;1,2,3,4-tetrahydropyridine
PubChem CID157375132
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Namesulfane;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.S
InChIInChI=1S/C5H9N.H2S/c1-2-4-6-5-3-1;/h2,4,6H,1,3,5H2;1H2
InChIKeyKAIJOXROUNHOCT-UHFFFAOYSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-pyrrole;1,2,3,4-tetrahydropyridine
CID 162060314
formic acid;1,2,3,4-tetrahydropyridine
CID 175462522
5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine
CID 168910052
2,3-dihydro-1H-pyrrole;dihydrofluoride
CID 175157824
copper;bis(2,3-dihydro-1H-pyrrole)
CID 172686548
5-deuterio-1,2,3,4-tetrahydropyridine
CID 175916725
1-deuterio-3,4-dihydro-2H-pyridine
CID 175703407
3,4-dihydro-2H-naphthalen-1-one;1,2,3,4-tetrahydropyridine
CID 158718137
(9Z)-1-oxa-8-azacyclooctadec-9-en-18-one
CID 130425088
(11Z)-8-methyl-1,5-diazacyclododec-11-ene
CID 146292863
(4Z,7Z)-1,2,3,6-tetrahydroazocine
CID 118562989
1,2,3,4,5,6-hexahydrodiazocine
CID 66659176

Frequently Asked Questions

What is the IUPAC name of sulfane;1,2,3,4-tetrahydropyridine?
The IUPAC name of sulfane;1,2,3,4-tetrahydropyridine (CID 157375132) is sulfane;1,2,3,4-tetrahydropyridine.
What is the SMILES notation for sulfane;1,2,3,4-tetrahydropyridine?
The canonical SMILES for sulfane;1,2,3,4-tetrahydropyridine is C1=CNCCC1.S.
What is the InChIKey of sulfane;1,2,3,4-tetrahydropyridine?
The InChIKey is KAIJOXROUNHOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.H2S/c1-2-4-6-5-3-1;/h2,4,6H,1,3,5H2;1H2.
What are the key properties of sulfane;1,2,3,4-tetrahydropyridine?
sulfane;1,2,3,4-tetrahydropyridine has a molecular weight of 117.22 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 157375132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).