1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine

C15H32N2O2S — CID 106721540

IUPAC1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine
SMILESCCNC1CCN(CCS(=O)(=O)C(C)(C)C)CC1CC
InChIInChI=1S/C15H32N2O2S/c1-6-13-12-17(9-8-14(13)16-7-2)10-11-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyOBSDRRCSDBXNDA-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.91
Rot. Bonds6

About 1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine

1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine (PubChem CID 106721540) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine
PubChem CID106721540
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine
SMILESCCNC1CCN(CCS(=O)(=O)C(C)(C)C)CC1CC
InChIInChI=1S/C15H32N2O2S/c1-6-13-12-17(9-8-14(13)16-7-2)10-11-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyOBSDRRCSDBXNDA-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 56790967
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
CID 86782206
(2R)-1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
CID 97856814
(2S)-1-ethylsulfonyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propan-2-amine
CID 97856815
4-(1-Fluoro-3-propylsulfonylpropyl)piperidine
CID 106735908
4-(3-Ethylsulfonyl-1-fluoropropyl)piperidine
CID 106735909
4-(1-Fluoro-3-propan-2-ylsulfonylpropyl)piperidine
CID 106735910
4-(3-Tert-butylsulfonyl-1-fluoropropyl)piperidine
CID 113871348
1-[1-(3-Fluoropropylsulfonyl)piperidin-3-yl]ethanamine
CID 119984201
2,4-Dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
CID 22291187
4-[3-(2-Methylpropylsulfonyl)propyl]piperidine
CID 56997394

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine (CID 106721540) is 1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine is CCNC1CCN(CCS(=O)(=O)C(C)(C)C)CC1CC.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine?
The InChIKey is OBSDRRCSDBXNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-6-13-12-17(9-8-14(13)16-7-2)10-11-20(18,19)15(3,4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine?
1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine has a molecular weight of 304.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine is sourced from PubChem (CID 106721540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).