3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one

C10H16N2OS — CID 106432535

IUPAC3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one
SMILESC#CCSCCN1CCCC(N)C1=O
InChIInChI=1S/C10H16N2OS/c1-2-7-14-8-6-12-5-3-4-9(11)10(12)13/h1,9H,3-8,11H2
InChIKeyHKHGLIKIYMCHPJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.30
Rot. Bonds4

About 3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one

3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one (PubChem CID 106432535) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one
PubChem CID106432535
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one
SMILESC#CCSCCN1CCCC(N)C1=O
InChIInChI=1S/C10H16N2OS/c1-2-7-14-8-6-12-5-3-4-9(11)10(12)13/h1,9H,3-8,11H2
InChIKeyHKHGLIKIYMCHPJ-UHFFFAOYSA-N
XLogP0.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)-1,4-diazepane-2,5-dione
CID 106433087
3-amino-1-(4-hydroxybutyl)piperidin-2-one
CID 106846824
(3R)-3-amino-1-[2-(dimethylamino)ethyl]piperidin-2-one
CID 95354967
1-(2-prop-2-ynylsulfanylethyl)imidazolidin-2-one
CID 106433189
3-ethyl-2-(2-prop-2-ynylsulfanylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 106432981
(3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one
CID 88585322
1-(2-prop-2-ynylsulfanylethyl)azepane
CID 134064544
3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride
CID 130237017
(3S)-3-amino-1-prop-2-enylazepan-2-one
CID 45088991
3-amino-1-(2-oxopropyl)piperidin-2-one
CID 71595862
4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383560
2-(3-amino-2-oxoazonan-1-yl)acetic acid
CID 23322748

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one?
The IUPAC name of 3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one (CID 106432535) is 3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one is C#CCSCCN1CCCC(N)C1=O.
What is the InChIKey of 3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one?
The InChIKey is HKHGLIKIYMCHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-7-14-8-6-12-5-3-4-9(11)10(12)13/h1,9H,3-8,11H2.
What are the key properties of 3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one?
3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one has a molecular weight of 212.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one is sourced from PubChem (CID 106432535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).