3-[(E)-prop-1-enyl]sulfanylpiperidine

C8H15NS — CID 172623859

IUPAC3-[(E)-prop-1-enyl]sulfanylpiperidine
SMILESC/C=C/SC1CCCNC1
InChIInChI=1S/C8H15NS/c1-2-6-10-8-4-3-5-9-7-8/h2,6,8-9H,3-5,7H2,1H3/b6-2+
InChIKeyLUERZJKKJPFVAP-QHHAFSJGSA-N
MW157.28 g/mol
LogP2.01
Rot. Bonds2

About 3-[(E)-prop-1-enyl]sulfanylpiperidine

3-[(E)-prop-1-enyl]sulfanylpiperidine (PubChem CID 172623859) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]sulfanylpiperidine.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]sulfanylpiperidine
PubChem CID172623859
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-[(E)-prop-1-enyl]sulfanylpiperidine
SMILESC/C=C/SC1CCCNC1
InChIInChI=1S/C8H15NS/c1-2-6-10-8-4-3-5-9-7-8/h2,6,8-9H,3-5,7H2,1H3/b6-2+
InChIKeyLUERZJKKJPFVAP-QHHAFSJGSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-prop-2-enylthian-2-amine
CID 23566330
3-Ethenylsulfanylpiperidine
CID 164539291
3-[(E)-prop-1-enyl]sulfonylpiperidine
CID 172623478
N-pentyl-4-prop-2-enylsulfanylpentan-1-amine
CID 173230807
N-prop-2-enylthian-3-amine
CID 62872866
N-(thian-2-ylmethyl)but-3-en-1-amine
CID 80600621
N-(thian-2-ylmethyl)prop-2-en-1-amine
CID 80601181
4-Prop-2-enylsulfanylpiperidine
CID 82181265
4-(2-Methylprop-2-enylsulfanyl)piperidine
CID 82181276
2-(2-Prop-2-enylsulfanylethyl)piperidine
CID 82182446
4-(1-Prop-2-enylsulfanylethyl)piperidine
CID 84020024
3-Prop-2-enylsulfanylpiperidine
CID 84754995

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]sulfanylpiperidine?
The IUPAC name of 3-[(E)-prop-1-enyl]sulfanylpiperidine (CID 172623859) is 3-[(E)-prop-1-enyl]sulfanylpiperidine.
What is the SMILES notation for 3-[(E)-prop-1-enyl]sulfanylpiperidine?
The canonical SMILES for 3-[(E)-prop-1-enyl]sulfanylpiperidine is C/C=C/SC1CCCNC1.
What is the InChIKey of 3-[(E)-prop-1-enyl]sulfanylpiperidine?
The InChIKey is LUERZJKKJPFVAP-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-6-10-8-4-3-5-9-7-8/h2,6,8-9H,3-5,7H2,1H3/b6-2+.
What are the key properties of 3-[(E)-prop-1-enyl]sulfanylpiperidine?
3-[(E)-prop-1-enyl]sulfanylpiperidine has a molecular weight of 157.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]sulfanylpiperidine is sourced from PubChem (CID 172623859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).