3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine

C11H21NS — CID 155088145

IUPAC3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(C2(C)CS2)C1
InChIInChI=1S/C11H21NS/c1-9(2)12-6-4-5-10(7-12)11(3)8-13-11/h9-10H,4-8H2,1-3H3
InChIKeyRXUMIQHSHPTNKQ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.61
Rot. Bonds2

About 3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine

3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine (PubChem CID 155088145) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine
PubChem CID155088145
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(C2(C)CS2)C1
InChIInChI=1S/C11H21NS/c1-9(2)12-6-4-5-10(7-12)11(3)8-13-11/h9-10H,4-8H2,1-3H3
InChIKeyRXUMIQHSHPTNKQ-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
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methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
CID 115103232
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314
3-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 134456922
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227855
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine (CID 155088145) is 3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine is CC(C)N1CCCC(C2(C)CS2)C1.
What is the InChIKey of 3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine?
The InChIKey is RXUMIQHSHPTNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)12-6-4-5-10(7-12)11(3)8-13-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine?
3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine has a molecular weight of 199.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 155088145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).