1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine

C11H23NS — CID 59762113

IUPAC1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
SMILESCSCCN1CCC(C(C)C)CC1
InChIInChI=1S/C11H23NS/c1-10(2)11-4-6-12(7-5-11)8-9-13-3/h10-11H,4-9H2,1-3H3
InChIKeyAKUKMGWZPJSXLQ-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine

1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine (PubChem CID 59762113) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
PubChem CID59762113
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
SMILESCSCCN1CCC(C(C)C)CC1
InChIInChI=1S/C11H23NS/c1-10(2)11-4-6-12(7-5-11)8-9-13-3/h10-11H,4-9H2,1-3H3
InChIKeyAKUKMGWZPJSXLQ-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 63597070
N-methyl-1-(2-methylsulfanylethyl)piperidin-4-amine
CID 63966753
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine
CID 59762014
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63964992
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine (CID 59762113) is 1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine is CSCCN1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine?
The InChIKey is AKUKMGWZPJSXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2)11-4-6-12(7-5-11)8-9-13-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine?
1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine has a molecular weight of 201.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 59762113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).