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

C10H20N2OS — CID 119466300

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CCCCC1CN
InChIInChI=1S/C10H20N2OS/c1-8(14-2)10(13)12-6-4-3-5-9(12)7-11/h8-9H,3-7,11H2,1-2H3
InChIKeyBKNQGTSWSMLQTH-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.08
Rot. Bonds3

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

1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one (PubChem CID 119466300) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
PubChem CID119466300
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CCCCC1CN
InChIInChI=1S/C10H20N2OS/c1-8(14-2)10(13)12-6-4-3-5-9(12)7-11/h8-9H,3-7,11H2,1-2H3
InChIKeyBKNQGTSWSMLQTH-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one;hydrochloride
CID 119631035
2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid
CID 129468360
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
CID 119466546
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81482767
N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119468177
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 119631438
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromophenyl)sulfanylpropan-1-one
CID 119634507

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one (CID 119466300) is 1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one is CSC(C)C(=O)N1CCCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one?
The InChIKey is BKNQGTSWSMLQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(14-2)10(13)12-6-4-3-5-9(12)7-11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one?
1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one has a molecular weight of 216.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one is sourced from PubChem (CID 119466300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).