1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one

C10H20N2OS — CID 79994537

IUPAC1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C10H20N2OS/c1-8-5-9(11)7-12(6-8)10(13)3-4-14-2/h8-9H,3-7,11H2,1-2H3
InChIKeyFTSPALOXDGCACN-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.94
Rot. Bonds3

About 1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one

1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one (PubChem CID 79994537) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one
PubChem CID79994537
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C10H20N2OS/c1-8-5-9(11)7-12(6-8)10(13)3-4-14-2/h8-9H,3-7,11H2,1-2H3
InChIKeyFTSPALOXDGCACN-UHFFFAOYSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 119413509
1-[(3R)-3-aminopyrrolidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 119413508
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
CID 896367
1-(3-amino-5-methylpiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 79994133
1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 114398267
3-chloro-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 40560802
1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 79993868
(3R,4R)-4-cyclopropyl-1-(3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid
CID 120979773
1-[3-(methylamino)pyrrolidin-1-yl]-3-methylsulfanylpropan-1-one
CID 81466966
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate
CID 79994442
1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 79989530

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one (CID 79994537) is 1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one is CSCCC(=O)N1CC(C)CC(N)C1.
What is the InChIKey of 1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one?
The InChIKey is FTSPALOXDGCACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8-5-9(11)7-12(6-8)10(13)3-4-14-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one?
1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one has a molecular weight of 216.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylpiperidin-1-yl)-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 79994537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).