1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one

C10H20N2OS — CID 119422924

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H20N2OS/c1-8(14-2)10(13)12-5-3-9(7-11)4-6-12/h8-9H,3-7,11H2,1-2H3
InChIKeySAZIYFJPNCDKNZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.94
Rot. Bonds3

About 1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one

1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one (PubChem CID 119422924) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
PubChem CID119422924
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H20N2OS/c1-8(14-2)10(13)12-5-3-9(7-11)4-6-12/h8-9H,3-7,11H2,1-2H3
InChIKeySAZIYFJPNCDKNZ-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-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one;hydrochloride
CID 119483391
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
1-[4-(aminomethyl)piperidin-1-yl]-2-(dimethylamino)-3-methylbutan-1-one;dihydrochloride
CID 119423303
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119484101
1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 175666657
(2R)-2-amino-3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropanal
CID 143709825
1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119466300
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one;hydrochloride
CID 119631035
(2R)-2-methylsulfanyl-1-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 96568475
[1-[(2S)-2-butylsulfanylpropanoyl]piperidin-4-yl]methanesulfonamide
CID 95338369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one (CID 119422924) is 1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one is CSC(C)C(=O)N1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one?
The InChIKey is SAZIYFJPNCDKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(14-2)10(13)12-5-3-9(7-11)4-6-12/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one?
1-[4-(aminomethyl)piperidin-1-yl]-2-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-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one is sourced from PubChem (CID 119422924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).