6-ethyl-1-methylsulfonylpiperidin-3-amine

C8H18N2O2S — CID 134294173

IUPAC6-ethyl-1-methylsulfonylpiperidin-3-amine
SMILESCCC1CCC(N)CN1S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-3-8-5-4-7(9)6-10(8)13(2,11)12/h7-8H,3-6,9H2,1-2H3
InChIKeyNGGYDMFVNBOYNM-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.15
Rot. Bonds2

About 6-ethyl-1-methylsulfonylpiperidin-3-amine

6-ethyl-1-methylsulfonylpiperidin-3-amine (PubChem CID 134294173) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 6-ethyl-1-methylsulfonylpiperidin-3-amine.

Molecular Properties

Compound Name6-ethyl-1-methylsulfonylpiperidin-3-amine
PubChem CID134294173
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name6-ethyl-1-methylsulfonylpiperidin-3-amine
SMILESCCC1CCC(N)CN1S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-3-8-5-4-7(9)6-10(8)13(2,11)12/h7-8H,3-6,9H2,1-2H3
InChIKeyNGGYDMFVNBOYNM-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-methylsulfonylazetidine
CID 130668579
2-ethyl-4-methyl-1-methylsulfonylpyrrolidine
CID 131176178
[(2S,5R)-5-amino-1-ethylpiperidin-2-yl]methanol
CID 129237634
(2R)-2-ethyl-1-ethylsulfonylazetidine
CID 174287718
2-ethyl-1-methylsulfonyl-4-propan-2-ylpiperazine
CID 130440435
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
(2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride
CID 174587316
2-(3-bromopropyl)-1-methylsulfonylpyrrolidine
CID 80675195
1-methylsulfonyl-2-propylpyrrolidine
CID 59852648
[(2S,4R)-1-methylsulfonyl-4-sulfanylpyrrolidin-2-yl]methanol
CID 86584851
N-(3-aminopyrrolidin-1-yl)ethanesulfonamide
CID 66872263

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methylsulfonylpiperidin-3-amine?
The IUPAC name of 6-ethyl-1-methylsulfonylpiperidin-3-amine (CID 134294173) is 6-ethyl-1-methylsulfonylpiperidin-3-amine.
What is the SMILES notation for 6-ethyl-1-methylsulfonylpiperidin-3-amine?
The canonical SMILES for 6-ethyl-1-methylsulfonylpiperidin-3-amine is CCC1CCC(N)CN1S(C)(=O)=O.
What is the InChIKey of 6-ethyl-1-methylsulfonylpiperidin-3-amine?
The InChIKey is NGGYDMFVNBOYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-8-5-4-7(9)6-10(8)13(2,11)12/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 6-ethyl-1-methylsulfonylpiperidin-3-amine?
6-ethyl-1-methylsulfonylpiperidin-3-amine has a molecular weight of 206.31 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methylsulfonylpiperidin-3-amine is sourced from PubChem (CID 134294173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).