1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone

C12H24N2OS — CID 115639941

IUPAC1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone
SMILESCSCCC(C)NC1CCN(C(C)=O)CC1
InChIInChI=1S/C12H24N2OS/c1-10(6-9-16-3)13-12-4-7-14(8-5-12)11(2)15/h10,12-13H,4-9H2,1-3H3
InChIKeyHHDLGYFDSPCMMR-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.73
Rot. Bonds5

About 1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone

1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone (PubChem CID 115639941) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone
PubChem CID115639941
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone
SMILESCSCCC(C)NC1CCN(C(C)=O)CC1
InChIInChI=1S/C12H24N2OS/c1-10(6-9-16-3)13-12-4-7-14(8-5-12)11(2)15/h10,12-13H,4-9H2,1-3H3
InChIKeyHHDLGYFDSPCMMR-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
CID 104907401
1-[4-(2-methylsulfanylethylamino)piperidin-1-yl]ethanone
CID 60663581
1-[3-(heptan-2-ylamino)pyrrolidin-1-yl]ethanone
CID 115893971
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158
1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 43223288
1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone
CID 43745923
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
CID 79254180
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide
CID 115721856
2,2-dimethyl-1-[4-(pentan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747722

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone (CID 115639941) is 1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone is CSCCC(C)NC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone?
The InChIKey is HHDLGYFDSPCMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(6-9-16-3)13-12-4-7-14(8-5-12)11(2)15/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone?
1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone has a molecular weight of 244.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 115639941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).