1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine

C11H23NS — CID 126603719

IUPAC1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine
SMILESCCN1CCCC(C)(SC(C)C)C1
InChIInChI=1S/C11H23NS/c1-5-12-8-6-7-11(4,9-12)13-10(2)3/h10H,5-9H2,1-4H3
InChIKeyNMKYAKDWUXGRHN-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.00
Rot. Bonds3

About 1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine

1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine (PubChem CID 126603719) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine.

Molecular Properties

Compound Name1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine
PubChem CID126603719
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine
SMILESCCN1CCCC(C)(SC(C)C)C1
InChIInChI=1S/C11H23NS/c1-5-12-8-6-7-11(4,9-12)13-10(2)3/h10H,5-9H2,1-4H3
InChIKeyNMKYAKDWUXGRHN-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-methyl-3-methylsulfanylpiperidine
CID 167009403
1-ethyl-5,5-difluoroazocane
CID 162614940
1-ethyl-3,3-dimethylazepane
CID 90730492
1-ethyl-3-methyl-3-propylpiperidine
CID 130676337
1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one
CID 176578535
3-(aminomethyl)-1-ethylpiperidin-3-ol
CID 83914177
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole
CID 143819268
9-ethyl-2-oxa-9-azaspiro[4.5]decane
CID 146386643
CID 153390108
CID 153390108
8-ethyl-2-oxa-8-azaspiro[5.5]undecane
CID 153357345

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine?
The IUPAC name of 1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine (CID 126603719) is 1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine.
What is the SMILES notation for 1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine?
The canonical SMILES for 1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine is CCN1CCCC(C)(SC(C)C)C1.
What is the InChIKey of 1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine?
The InChIKey is NMKYAKDWUXGRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-12-8-6-7-11(4,9-12)13-10(2)3/h10H,5-9H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine?
1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine has a molecular weight of 201.38 g/mol, XLogP of 3.00, 3 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-propan-2-ylsulfanylpiperidine is sourced from PubChem (CID 126603719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).