1-tert-butyl-4-methylsulfanylpiperidine

C10H21NS — CID 68756349

IUPAC1-tert-butyl-4-methylsulfanylpiperidine
SMILESCSC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21NS/c1-10(2,3)11-7-5-9(12-4)6-8-11/h9H,5-8H2,1-4H3
InChIKeyOBEQSYYXASXRFD-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds1

About 1-tert-butyl-4-methylsulfanylpiperidine

1-tert-butyl-4-methylsulfanylpiperidine (PubChem CID 68756349) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-tert-butyl-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-methylsulfanylpiperidine
PubChem CID68756349
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-tert-butyl-4-methylsulfanylpiperidine
SMILESCSC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21NS/c1-10(2,3)11-7-5-9(12-4)6-8-11/h9H,5-8H2,1-4H3
InChIKeyOBEQSYYXASXRFD-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine
CID 130490296
1-tert-butyl-4-ethylsulfanylpiperidine
CID 90326333
1-tert-butyl-3-tert-butylsulfanylpyrrolidine
CID 59522782
methylsulfanylcyclopropane
CID 12678402
1-cyclopropyl-4-methylsulfanylpiperidine
CID 146208797
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837
1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990
4-methylsulfanylpiperidine-1-carbaldehyde
CID 87835944
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
(1-tert-butylpiperidin-4-yl)hydrazine
CID 21097250

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylsulfanylpiperidine?
The IUPAC name of 1-tert-butyl-4-methylsulfanylpiperidine (CID 68756349) is 1-tert-butyl-4-methylsulfanylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-methylsulfanylpiperidine?
The canonical SMILES for 1-tert-butyl-4-methylsulfanylpiperidine is CSC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylsulfanylpiperidine?
The InChIKey is OBEQSYYXASXRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)11-7-5-9(12-4)6-8-11/h9H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methylsulfanylpiperidine?
1-tert-butyl-4-methylsulfanylpiperidine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylsulfanylpiperidine is sourced from PubChem (CID 68756349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).