1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine

C12H24N2S — CID 102671684

IUPAC1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine
SMILESCCN1CCCC(NC2CCSC2C)C1
InChIInChI=1S/C12H24N2S/c1-3-14-7-4-5-11(9-14)13-12-6-8-15-10(12)2/h10-13H,3-9H2,1-2H3
InChIKeyGPOVPPJRALPHHW-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.95
Rot. Bonds3

About 1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine

1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine (PubChem CID 102671684) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine
PubChem CID102671684
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine
SMILESCCN1CCCC(NC2CCSC2C)C1
InChIInChI=1S/C12H24N2S/c1-3-14-7-4-5-11(9-14)13-12-6-8-15-10(12)2/h10-13H,3-9H2,1-2H3
InChIKeyGPOVPPJRALPHHW-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(5-methylthiolan-3-yl)piperidin-3-amine
CID 79950427
N-(1-ethylpiperidin-3-yl)-1-methylazepan-4-amine
CID 65070247
N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine
CID 79956542
N-(1-cyclopropylpyrrolidin-3-yl)-1-ethylpiperidin-3-amine
CID 62982857
1-ethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-amine
CID 63452666
N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine
CID 102671482
(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine
CID 124848782
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
ethane;1-ethyl-3-methylpiperidine
CID 91361629
N-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-amine
CID 114401290
1-ethyl-N-(4-methylpentan-2-yl)piperidin-3-amine
CID 61169975

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine?
The IUPAC name of 1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine (CID 102671684) is 1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine is CCN1CCCC(NC2CCSC2C)C1.
What is the InChIKey of 1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine?
The InChIKey is GPOVPPJRALPHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-14-7-4-5-11(9-14)13-12-6-8-15-10(12)2/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine?
1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine has a molecular weight of 228.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine is sourced from PubChem (CID 102671684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).