N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine

C14H28N2O3S — CID 114507103

IUPACN,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)C2CCOCC2)CC1CC
InChIInChI=1S/C14H28N2O3S/c1-3-12-11-16(8-5-14(12)15-4-2)20(17,18)13-6-9-19-10-7-13/h12-15H,3-11H2,1-2H3
InChIKeyGJJSOSVWDJYECF-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.21
Rot. Bonds5

About N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine

N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine (PubChem CID 114507103) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
PubChem CID114507103
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)C2CCOCC2)CC1CC
InChIInChI=1S/C14H28N2O3S/c1-3-12-11-16(8-5-14(12)15-4-2)20(17,18)13-6-9-19-10-7-13/h12-15H,3-11H2,1-2H3
InChIKeyGJJSOSVWDJYECF-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3S)-3-ethylpiperidin-1-yl]-2-methylpropyl]-1-(oxan-4-yl)methanesulfonamide
CID 97574855
1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119042780
3,3-dimethyl-N-(oxan-4-ylmethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70645831
N-(oxan-4-ylmethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70653507
N-(oxan-4-ylmethyl)-N-piperidin-4-yl-2-sulfanylethanesulfonamide
CID 123583003
1-(Oxan-4-ylmethylsulfonyl)piperidin-4-amine
CID 148438099
1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 43208067
1-ethylsulfonyl-N-(oxan-4-yl)piperidin-4-amine
CID 43608586
N-(oxan-4-yl)piperidine-3-sulfonamide
CID 43610285
N-methyl-N-(oxan-4-yl)piperidine-3-sulfonamide
CID 43611264
N-(oxan-4-yl)-1-propylsulfonylpiperidin-4-amine
CID 43747936
N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748003

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
The IUPAC name of N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine (CID 114507103) is N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine is CCNC1CCN(S(=O)(=O)C2CCOCC2)CC1CC.
What is the InChIKey of N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
The InChIKey is GJJSOSVWDJYECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-12-11-16(8-5-14(12)15-4-2)20(17,18)13-6-9-19-10-7-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 114507103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).