1-ethylsulfanyl-3-methylpiperidine

C8H17NS — CID 142366557

IUPAC1-ethylsulfanyl-3-methylpiperidine
SMILESCCSN1CCCC(C)C1
InChIInChI=1S/C8H17NS/c1-3-10-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3
InChIKeyMXAVFIUHAFBUKR-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.39
Rot. Bonds2

About 1-ethylsulfanyl-3-methylpiperidine

1-ethylsulfanyl-3-methylpiperidine (PubChem CID 142366557) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-methylpiperidine.

Molecular Properties

Compound Name1-ethylsulfanyl-3-methylpiperidine
PubChem CID142366557
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-ethylsulfanyl-3-methylpiperidine
SMILESCCSN1CCCC(C)C1
InChIInChI=1S/C8H17NS/c1-3-10-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3
InChIKeyMXAVFIUHAFBUKR-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfanylpyrrolidin-3-ol
CID 143476888
ethane;1-ethyl-3-methylpiperidine
CID 91361629
ethane;1-ethyl-3-methylazepane
CID 142283412
3-amino-2-(3-methylpiperidin-1-yl)propanal
CID 174430520
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959
N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine
CID 168861294
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
1-butyl-3-methylpiperidine;ethane
CID 143349503
(3-methylazepan-1-yl)phosphane
CID 130426718

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-methylpiperidine?
The IUPAC name of 1-ethylsulfanyl-3-methylpiperidine (CID 142366557) is 1-ethylsulfanyl-3-methylpiperidine.
What is the SMILES notation for 1-ethylsulfanyl-3-methylpiperidine?
The canonical SMILES for 1-ethylsulfanyl-3-methylpiperidine is CCSN1CCCC(C)C1.
What is the InChIKey of 1-ethylsulfanyl-3-methylpiperidine?
The InChIKey is MXAVFIUHAFBUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-10-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-3-methylpiperidine?
1-ethylsulfanyl-3-methylpiperidine has a molecular weight of 159.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-methylpiperidine is sourced from PubChem (CID 142366557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).