1-ethyl-3-methyl-3-methylsulfanylpiperidine

C9H19NS — CID 167009403

IUPAC1-ethyl-3-methyl-3-methylsulfanylpiperidine
SMILESCCN1CCCC(C)(SC)C1
InChIInChI=1S/C9H19NS/c1-4-10-7-5-6-9(2,8-10)11-3/h4-8H2,1-3H3
InChIKeyUFGAUSFQWTXWKP-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds2

About 1-ethyl-3-methyl-3-methylsulfanylpiperidine

1-ethyl-3-methyl-3-methylsulfanylpiperidine (PubChem CID 167009403) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-3-methylsulfanylpiperidine.

Molecular Properties

Compound Name1-ethyl-3-methyl-3-methylsulfanylpiperidine
PubChem CID167009403
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-ethyl-3-methyl-3-methylsulfanylpiperidine
SMILESCCN1CCCC(C)(SC)C1
InChIInChI=1S/C9H19NS/c1-4-10-7-5-6-9(2,8-10)11-3/h4-8H2,1-3H3
InChIKeyUFGAUSFQWTXWKP-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine
CID 126603719
1-ethyl-3,3-dimethylazepane
CID 90730492
1-ethyl-3-methyl-3-propylpiperidine
CID 130676337
1-ethyl-5,5-difluoroazocane
CID 162614940
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
8-ethyl-1,8-diazaspiro[5.5]undecane
CID 83618601
ethane;1-ethyl-3-(methoxymethyl)piperidin-3-ol
CID 172575983
1,3-diethyl-3-methoxypiperidine
CID 153193773
3-(aminomethyl)-1-ethylpiperidin-3-ol
CID 83914177
9-ethyl-1-oxa-9-azaspiro[4.5]decane
CID 123211534
ethane;1-ethylpiperidine
CID 90845344
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-3-methylsulfanylpiperidine?
The IUPAC name of 1-ethyl-3-methyl-3-methylsulfanylpiperidine (CID 167009403) is 1-ethyl-3-methyl-3-methylsulfanylpiperidine.
What is the SMILES notation for 1-ethyl-3-methyl-3-methylsulfanylpiperidine?
The canonical SMILES for 1-ethyl-3-methyl-3-methylsulfanylpiperidine is CCN1CCCC(C)(SC)C1.
What is the InChIKey of 1-ethyl-3-methyl-3-methylsulfanylpiperidine?
The InChIKey is UFGAUSFQWTXWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-10-7-5-6-9(2,8-10)11-3/h4-8H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-3-methylsulfanylpiperidine?
1-ethyl-3-methyl-3-methylsulfanylpiperidine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-3-methylsulfanylpiperidine is sourced from PubChem (CID 167009403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).