1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine

C16H26N2O2S — CID 63854553

IUPAC1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine
SMILESCCNC(C)C1CCCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-3-17-14(2)16-11-7-8-12-18(16)21(19,20)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,3,7-8,11-13H2,1-2H3
InChIKeyHFCSVQPYKYMXTB-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.37
Rot. Bonds6

About 1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine

1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine (PubChem CID 63854553) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine
PubChem CID63854553
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine
SMILESCCNC(C)C1CCCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-3-17-14(2)16-11-7-8-12-18(16)21(19,20)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,3,7-8,11-13H2,1-2H3
InChIKeyHFCSVQPYKYMXTB-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine
CID 63854206
1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine
CID 63854552
2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide
CID 114958523
1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine
CID 55256858
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
1-benzylsulfonylazepan-2-amine
CID 64560148
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
1-benzylsulfonyl-2-propan-2-ylaziridine
CID 175123088
1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine
CID 55256671
1-(1-benzylsulfonylazepan-2-yl)propan-2-one
CID 79541444
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
1-benzylsulfonyl-2-(2-methylbutan-2-yl)pyrrolidine
CID 59852632

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine (CID 63854553) is 1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine is CCNC(C)C1CCCCN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine?
The InChIKey is HFCSVQPYKYMXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-17-14(2)16-11-7-8-12-18(16)21(19,20)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,3,7-8,11-13H2,1-2H3.
What are the key properties of 1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine?
1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine has a molecular weight of 310.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine is sourced from PubChem (CID 63854553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).