5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine

C11H22N2S — CID 130506311

IUPAC5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine
SMILESCSC1(CN2CC(C)CC(N)C2)CC1
InChIInChI=1S/C11H22N2S/c1-9-5-10(12)7-13(6-9)8-11(14-2)3-4-11/h9-10H,3-8,12H2,1-2H3
InChIKeyZTLLDRNUNHUGMV-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.55
Rot. Bonds3

About 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine

5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine (PubChem CID 130506311) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine
PubChem CID130506311
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine
SMILESCSC1(CN2CC(C)CC(N)C2)CC1
InChIInChI=1S/C11H22N2S/c1-9-5-10(12)7-13(6-9)8-11(14-2)3-4-11/h9-10H,3-8,12H2,1-2H3
InChIKeyZTLLDRNUNHUGMV-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine?
The IUPAC name of 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine (CID 130506311) is 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine?
The canonical SMILES for 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine is CSC1(CN2CC(C)CC(N)C2)CC1.
What is the InChIKey of 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine?
The InChIKey is ZTLLDRNUNHUGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-5-10(12)7-13(6-9)8-11(14-2)3-4-11/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine?
5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-amine is sourced from PubChem (CID 130506311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).