N-(2-piperidin-1-ylethyl)pent-4-enethioamide

C12H22N2S — CID 88620028

IUPACN-(2-piperidin-1-ylethyl)pent-4-enethioamide
SMILESC=CCCC(=S)NCCN1CCCCC1
InChIInChI=1S/C12H22N2S/c1-2-3-7-12(15)13-8-11-14-9-5-4-6-10-14/h2H,1,3-11H2,(H,13,15)
InChIKeyRGHQFFNJMFWNES-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.36
Rot. Bonds6

About N-(2-piperidin-1-ylethyl)pent-4-enethioamide

N-(2-piperidin-1-ylethyl)pent-4-enethioamide (PubChem CID 88620028) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)pent-4-enethioamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)pent-4-enethioamide
PubChem CID88620028
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-(2-piperidin-1-ylethyl)pent-4-enethioamide
SMILESC=CCCC(=S)NCCN1CCCCC1
InChIInChI=1S/C12H22N2S/c1-2-3-7-12(15)13-8-11-14-9-5-4-6-10-14/h2H,1,3-11H2,(H,13,15)
InChIKeyRGHQFFNJMFWNES-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 75525501
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N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
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N-ethenoxy-2-piperidin-1-ylethanamine
CID 20598182
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride
CID 85039251
2-methyl-N-(2-piperidin-1-ylethyl)pentanethioamide
CID 130369462
4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
CID 119836634
1-(2-piperidin-1-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 3401312
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CID 61241160

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)pent-4-enethioamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)pent-4-enethioamide (CID 88620028) is N-(2-piperidin-1-ylethyl)pent-4-enethioamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)pent-4-enethioamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)pent-4-enethioamide is C=CCCC(=S)NCCN1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)pent-4-enethioamide?
The InChIKey is RGHQFFNJMFWNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-2-3-7-12(15)13-8-11-14-9-5-4-6-10-14/h2H,1,3-11H2,(H,13,15).
What are the key properties of N-(2-piperidin-1-ylethyl)pent-4-enethioamide?
N-(2-piperidin-1-ylethyl)pent-4-enethioamide has a molecular weight of 226.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)pent-4-enethioamide is sourced from PubChem (CID 88620028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).