3-(2,2-dimethylpropylsulfanylmethyl)piperidine

C11H23NS — CID 115070779

IUPAC3-(2,2-dimethylpropylsulfanylmethyl)piperidine
SMILESCC(C)(C)CSCC1CCCNC1
InChIInChI=1S/C11H23NS/c1-11(2,3)9-13-8-10-5-4-6-12-7-10/h10,12H,4-9H2,1-3H3
InChIKeyCRFPQTHDPSRRFJ-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.77
Rot. Bonds3

About 3-(2,2-dimethylpropylsulfanylmethyl)piperidine

3-(2,2-dimethylpropylsulfanylmethyl)piperidine (PubChem CID 115070779) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropylsulfanylmethyl)piperidine
PubChem CID115070779
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-(2,2-dimethylpropylsulfanylmethyl)piperidine
SMILESCC(C)(C)CSCC1CCCNC1
InChIInChI=1S/C11H23NS/c1-11(2,3)9-13-8-10-5-4-6-12-7-10/h10,12H,4-9H2,1-3H3
InChIKeyCRFPQTHDPSRRFJ-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)piperidine
CID 21041533
3-(methylsulfanylmethyl)piperidine
CID 22276228
(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
CID 169179223
3-[2-(cyclopentylmethylsulfanyl)ethyl]piperidine
CID 63120213
3-(tert-butylsulfanylmethyl)pyrrolidine
CID 62371966
1-(azetidin-3-ylmethylsulfanyl)-2-methylpropan-2-ol
CID 66290916
2,2-dimethyl-3-piperidin-3-ylpropanamide
CID 119057117
S-methyl 2-piperidin-3-ylethanethioate
CID 117125822
2-piperidin-3-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 62688845
2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
CID 106939866
piperidin-3-ylmethanol
CID 161361606
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylsulfanylmethyl)piperidine?
The IUPAC name of 3-(2,2-dimethylpropylsulfanylmethyl)piperidine (CID 115070779) is 3-(2,2-dimethylpropylsulfanylmethyl)piperidine.
What is the SMILES notation for 3-(2,2-dimethylpropylsulfanylmethyl)piperidine?
The canonical SMILES for 3-(2,2-dimethylpropylsulfanylmethyl)piperidine is CC(C)(C)CSCC1CCCNC1.
What is the InChIKey of 3-(2,2-dimethylpropylsulfanylmethyl)piperidine?
The InChIKey is CRFPQTHDPSRRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-11(2,3)9-13-8-10-5-4-6-12-7-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropylsulfanylmethyl)piperidine?
3-(2,2-dimethylpropylsulfanylmethyl)piperidine has a molecular weight of 201.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylsulfanylmethyl)piperidine is sourced from PubChem (CID 115070779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).