3-(3-ethylpiperidin-1-yl)butanethioamide

C11H22N2S — CID 60914688

IUPAC3-(3-ethylpiperidin-1-yl)butanethioamide
SMILESCCC1CCCN(C(C)CC(N)=S)C1
InChIInChI=1S/C11H22N2S/c1-3-10-5-4-6-13(8-10)9(2)7-11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeyZZCNTYZIDHEHHR-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.17
Rot. Bonds4

About 3-(3-ethylpiperidin-1-yl)butanethioamide

3-(3-ethylpiperidin-1-yl)butanethioamide (PubChem CID 60914688) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-(3-ethylpiperidin-1-yl)butanethioamide.

Molecular Properties

Compound Name3-(3-ethylpiperidin-1-yl)butanethioamide
PubChem CID60914688
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-(3-ethylpiperidin-1-yl)butanethioamide
SMILESCCC1CCCN(C(C)CC(N)=S)C1
InChIInChI=1S/C11H22N2S/c1-3-10-5-4-6-13(8-10)9(2)7-11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeyZZCNTYZIDHEHHR-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)butanethioamide
CID 60915057
N-[2-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62433783
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanethioamide
CID 79932274
1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride
CID 130718922
2-(3-ethylpiperidin-1-yl)-N-propylpropan-1-amine
CID 62433605
N-[2-(3-ethylpiperidin-1-yl)propyl]cyclohexanamine
CID 62569538
ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
CID 102984888
4-[3-(3-ethylpiperidin-1-yl)butyl]phenol
CID 82976975
3-(3-methylpiperidin-1-yl)pentanethioamide
CID 43367645
3-(1,4-oxazepan-4-yl)butanethioamide
CID 62988867
3-(1,4-thiazepan-4-yl)butanethioamide
CID 61419827
2-(3-ethylpiperidin-1-yl)butanehydrazide
CID 63572940

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidin-1-yl)butanethioamide?
The IUPAC name of 3-(3-ethylpiperidin-1-yl)butanethioamide (CID 60914688) is 3-(3-ethylpiperidin-1-yl)butanethioamide.
What is the SMILES notation for 3-(3-ethylpiperidin-1-yl)butanethioamide?
The canonical SMILES for 3-(3-ethylpiperidin-1-yl)butanethioamide is CCC1CCCN(C(C)CC(N)=S)C1.
What is the InChIKey of 3-(3-ethylpiperidin-1-yl)butanethioamide?
The InChIKey is ZZCNTYZIDHEHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-10-5-4-6-13(8-10)9(2)7-11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 3-(3-ethylpiperidin-1-yl)butanethioamide?
3-(3-ethylpiperidin-1-yl)butanethioamide has a molecular weight of 214.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidin-1-yl)butanethioamide is sourced from PubChem (CID 60914688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).