1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone

C12H24N2OS — CID 115639158

IUPAC1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
SMILESCSCCCCNC1CCN(C(C)=O)CC1
InChIInChI=1S/C12H24N2OS/c1-11(15)14-8-5-12(6-9-14)13-7-3-4-10-16-2/h12-13H,3-10H2,1-2H3
InChIKeyVSYGCKBAHVHJLX-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.73
Rot. Bonds6

About 1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone

1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone (PubChem CID 115639158) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
PubChem CID115639158
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
SMILESCSCCCCNC1CCN(C(C)=O)CC1
InChIInChI=1S/C12H24N2OS/c1-11(15)14-8-5-12(6-9-14)13-7-3-4-10-16-2/h12-13H,3-10H2,1-2H3
InChIKeyVSYGCKBAHVHJLX-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methylsulfanylethylamino)piperidin-1-yl]ethanone
CID 60663581
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
CID 60894186
4-[(1-acetylpiperidin-4-yl)amino]butanamide
CID 60864118
1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine
CID 104926411
1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
CID 103992533
N-(4-methylsulfanylbutyl)-1-propylsulfonylpiperidin-4-amine
CID 103087749
3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
1-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]ethanone
CID 103859428
1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
CID 25219591
1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 115639941

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone (CID 115639158) is 1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone is CSCCCCNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone?
The InChIKey is VSYGCKBAHVHJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-11(15)14-8-5-12(6-9-14)13-7-3-4-10-16-2/h12-13H,3-10H2,1-2H3.
What are the key properties of 1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone?
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone has a molecular weight of 244.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 115639158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).