N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine

C12H26N2O2S — CID 114507432

IUPACN,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCCNC1CCN(CCS(C)(=O)=O)CC1CC
InChIInChI=1S/C12H26N2O2S/c1-4-11-10-14(8-9-17(3,15)16)7-6-12(11)13-5-2/h11-13H,4-10H2,1-3H3
InChIKeyZCIKUFMBDKTABN-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds6

About N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine

N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine (PubChem CID 114507432) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine
PubChem CID114507432
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine
SMILESCCNC1CCN(CCS(C)(=O)=O)CC1CC
InChIInChI=1S/C12H26N2O2S/c1-4-11-10-14(8-9-17(3,15)16)7-6-12(11)13-5-2/h11-13H,4-10H2,1-3H3
InChIKeyZCIKUFMBDKTABN-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
N-((piperidin-3-yl)methyl)propane-2-sulfonamide
CID 47002636
N-((1-isopropylpiperidin-4-yl)methyl)propane-1-sulfonamide
CID 45558506
1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 56790967
[3-Methyl-1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]methanamine
CID 64022282
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide
CID 95331031
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
1-cyclopentyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]methanesulfonamide
CID 164639860
4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
N-ethyl-1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanamine
CID 83047127

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine?
The IUPAC name of N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine (CID 114507432) is N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine.
What is the SMILES notation for N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine?
The canonical SMILES for N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine is CCNC1CCN(CCS(C)(=O)=O)CC1CC.
What is the InChIKey of N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine?
The InChIKey is ZCIKUFMBDKTABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-11-10-14(8-9-17(3,15)16)7-6-12(11)13-5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine?
N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine is sourced from PubChem (CID 114507432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).