4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine

C15H31NO2S — CID 142146363

IUPAC4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine
SMILESCCOC1(OCC)CC(C)(C)N(S)C(CC)(CC)C1
InChIInChI=1S/C15H31NO2S/c1-7-14(8-2)12-15(17-9-3,18-10-4)11-13(5,6)16(14)19/h19H,7-12H2,1-6H3
InChIKeyZVZBTTLHGHFMQJ-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.03
Rot. Bonds6

About 4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine

4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine (PubChem CID 142146363) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine.

Molecular Properties

Compound Name4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine
PubChem CID142146363
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine
SMILESCCOC1(OCC)CC(C)(C)N(S)C(CC)(CC)C1
InChIInChI=1S/C15H31NO2S/c1-7-14(8-2)12-15(17-9-3,18-10-4)11-13(5,6)16(14)19/h19H,7-12H2,1-6H3
InChIKeyZVZBTTLHGHFMQJ-UHFFFAOYSA-N
XLogP4.03
TPSA21.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 58982507
CID 58982507
CID 58982303
CID 58982303
2',2'-diethyl-6',6'-dimethyl-1'-sulfanylspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,4'-piperidine]
CID 142146345
(3,10,10-triethyl-8,8-dimethyl-9-sulfanyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanol
CID 142146351
1,1,3,3-tetraethoxycyclohexane
CID 151917056
1,1-diethoxycyclopropane;sulfane
CID 175457696
2,2-diethyl-6,6-dimethyl-4,4-dioctoxy-1-(2-phenylethoxy)piperidine
CID 91564852
4,4-diethoxy-2,2-dimethylpiperidine
CID 166543313
4,4-diethoxy-2,2-diethyloxane
CID 150470923
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
4,4-diethoxy-1,2-dimethylpiperidine
CID 45093899
tert-butyl 4-[3-(4,4-diethoxy-2,2-dimethylpiperidin-1-yl)-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 167265121

Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine?
The IUPAC name of 4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine (CID 142146363) is 4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine.
What is the SMILES notation for 4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine?
The canonical SMILES for 4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine is CCOC1(OCC)CC(C)(C)N(S)C(CC)(CC)C1.
What is the InChIKey of 4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine?
The InChIKey is ZVZBTTLHGHFMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-7-14(8-2)12-15(17-9-3,18-10-4)11-13(5,6)16(14)19/h19H,7-12H2,1-6H3.
What are the key properties of 4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine?
4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine has a molecular weight of 289.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxy-2,2-diethyl-6,6-dimethyl-1-sulfanylpiperidine is sourced from PubChem (CID 142146363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).