2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine

C10H22N2S — CID 117239456

IUPAC2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCC(CN)C1CCN(C)CC1
InChIInChI=1S/C10H22N2S/c1-12-5-3-9(4-6-12)10(7-11)8-13-2/h9-10H,3-8,11H2,1-2H3
InChIKeyNSBUNJGPMVZCMV-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.27
Rot. Bonds4

About 2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine

2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 117239456) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine
PubChem CID117239456
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCC(CN)C1CCN(C)CC1
InChIInChI=1S/C10H22N2S/c1-12-5-3-9(4-6-12)10(7-11)8-13-2/h9-10H,3-8,11H2,1-2H3
InChIKeyNSBUNJGPMVZCMV-UHFFFAOYSA-N
XLogP1.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 117239062
1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
CID 117237518
N',N'-dimethyl-2-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237610
N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 82406005
3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
CID 117239407
(1-methylpiperidin-4-yl)methanediol
CID 21366498
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
[3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite
CID 146536290
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 69329121
N-methyl-1-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine
CID 116831672
3-methylsulfanyl-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117238037

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine (CID 117239456) is 2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine is CSCC(CN)C1CCN(C)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is NSBUNJGPMVZCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-12-5-3-9(4-6-12)10(7-11)8-13-2/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine?
2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 117239456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).