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

C13H28N2O2S — CID 114507143

IUPACN,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)CC(C)C)CC1CC
InChIInChI=1S/C13H28N2O2S/c1-5-12-9-15(8-7-13(12)14-6-2)18(16,17)10-11(3)4/h11-14H,5-10H2,1-4H3
InChIKeyJTZCMJAAJVJBJD-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.68
Rot. Bonds6

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

N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine (PubChem CID 114507143) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
PubChem CID114507143
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)CC(C)C)CC1CC
InChIInChI=1S/C13H28N2O2S/c1-5-12-9-15(8-7-13(12)14-6-2)18(16,17)10-11(3)4/h11-14H,5-10H2,1-4H3
InChIKeyJTZCMJAAJVJBJD-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine
CID 114507131
N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 114507103
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627601
N,3-diethyl-1-(2-fluorophenyl)sulfonylpiperidin-4-amine
CID 114507138
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N,3-diethylpiperidin-4-amine
CID 114507117
1-(2,2-dimethylpropylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498948
N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 114507432
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]propanamide
CID 114507497
1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine
CID 106721540
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 114506784
N,3-diethyl-1-(2-ethylbutyl)piperidin-4-amine
CID 114507419
ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
CID 114506999

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine?
The IUPAC name of N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine (CID 114507143) is N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine?
The canonical SMILES for N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine is CCNC1CCN(S(=O)(=O)CC(C)C)CC1CC.
What is the InChIKey of N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine?
The InChIKey is JTZCMJAAJVJBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-12-9-15(8-7-13(12)14-6-2)18(16,17)10-11(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine?
N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 114507143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).