2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine

C12H26N2OS — CID 107914509

IUPAC2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine
SMILESCC(CN)CS(=O)CCC1CCCCN1C
InChIInChI=1S/C12H26N2OS/c1-11(9-13)10-16(15)8-6-12-5-3-4-7-14(12)2/h11-12H,3-10,13H2,1-2H3
InChIKeyVZXRKZNIAQQCBX-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.20
Rot. Bonds6

About 2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine

2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine (PubChem CID 107914509) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine
PubChem CID107914509
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine
SMILESCC(CN)CS(=O)CCC1CCCCN1C
InChIInChI=1S/C12H26N2OS/c1-11(9-13)10-16(15)8-6-12-5-3-4-7-14(12)2/h11-12H,3-10,13H2,1-2H3
InChIKeyVZXRKZNIAQQCBX-UHFFFAOYSA-N
XLogP1.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]butanoic acid
CID 107913268
2-acetamido-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propanoic acid
CID 107913269
2-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]butanoic acid
CID 107913266
3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine
CID 81200825
methyl 3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]butanoate
CID 107913251
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502
2-(1-methylpiperidin-2-yl)ethanesulfonamide
CID 107912942
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline
CID 114015315
1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine
CID 66218738
2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine
CID 107914062
2-methyl-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline
CID 107914391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine?
The IUPAC name of 2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine (CID 107914509) is 2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine is CC(CN)CS(=O)CCC1CCCCN1C.
What is the InChIKey of 2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine?
The InChIKey is VZXRKZNIAQQCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-11(9-13)10-16(15)8-6-12-5-3-4-7-14(12)2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine?
2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine has a molecular weight of 246.42 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]propan-1-amine is sourced from PubChem (CID 107914509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).