1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone

C11H21NOS — CID 87011135

IUPAC1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone
SMILESCCCSCC(=O)N1CCCC(C)C1
InChIInChI=1S/C11H21NOS/c1-3-7-14-9-11(13)12-6-4-5-10(2)8-12/h10H,3-9H2,1-2H3
InChIKeyNFWBZRGPAHSZFJ-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.39
Rot. Bonds4

About 1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone

1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone (PubChem CID 87011135) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone
PubChem CID87011135
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone
SMILESCCCSCC(=O)N1CCCC(C)C1
InChIInChI=1S/C11H21NOS/c1-3-7-14-9-11(13)12-6-4-5-10(2)8-12/h10H,3-9H2,1-2H3
InChIKeyNFWBZRGPAHSZFJ-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(azepan-1-yl)ethylsulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 134066589
1-(3-ethoxypiperidin-1-yl)-2-propylsulfanylethanone
CID 47737118
2-amino-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbutanoic acid
CID 60929526
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
1-(3-methylpiperazin-1-yl)-2-propylsulfanylethanone
CID 119578055
1-(3-methoxy-4-methylpiperidin-1-yl)-2-propylsulfanylethanone
CID 154754039
1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride
CID 119374422
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
1-(3-methylpiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 42892883
2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 1451264
methyl 2-[1-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107776393

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone (CID 87011135) is 1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone is CCCSCC(=O)N1CCCC(C)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone?
The InChIKey is NFWBZRGPAHSZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-3-7-14-9-11(13)12-6-4-5-10(2)8-12/h10H,3-9H2,1-2H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone?
1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone has a molecular weight of 215.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone is sourced from PubChem (CID 87011135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).