N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine

C13H28N2O2S — CID 106638991

IUPACN-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCN(CCCS(=O)(=O)CC)CC1CCCNC1
InChIInChI=1S/C13H28N2O2S/c1-3-15(9-6-10-18(16,17)4-2)12-13-7-5-8-14-11-13/h13-14H,3-12H2,1-2H3
InChIKeyWDCQJQBNCMXFQO-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds8

About N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine

N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106638991) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106638991
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCN(CCCS(=O)(=O)CC)CC1CCCNC1
InChIInChI=1S/C13H28N2O2S/c1-3-15(9-6-10-18(16,17)4-2)12-13-7-5-8-14-11-13/h13-14H,3-12H2,1-2H3
InChIKeyWDCQJQBNCMXFQO-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629
N-ethyl-4-methylsulfanyl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 106624526
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
3-(butylsulfonylmethyl)piperidine
CID 82182109
N-methyl-3-methylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 104870274
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638421
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
N-ethyl-2,2-difluoro-N-(piperidin-3-ylmethyl)ethanamine
CID 106638969
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 106638403
N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106624469

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106638991) is N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine is CCN(CCCS(=O)(=O)CC)CC1CCCNC1.
What is the InChIKey of N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is WDCQJQBNCMXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-3-15(9-6-10-18(16,17)4-2)12-13-7-5-8-14-11-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine?
N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-ethylsulfonyl-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106638991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).