5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline

C16H27N3O2S — CID 119965411

IUPAC5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1N(C)C
InChIInChI=1S/C16H27N3O2S/c1-12-8-9-14(11-16(12)18(3)4)22(20,21)19-10-6-5-7-15(19)13(2)17/h8-9,11,13,15H,5-7,10,17H2,1-4H3
InChIKeyIFDSQDUGECLEHG-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.95
Rot. Bonds4

About 5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline

5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline (PubChem CID 119965411) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline.

Molecular Properties

Compound Name5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
PubChem CID119965411
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1N(C)C
InChIInChI=1S/C16H27N3O2S/c1-12-8-9-14(11-16(12)18(3)4)22(20,21)19-10-6-5-7-15(19)13(2)17/h8-9,11,13,15H,5-7,10,17H2,1-4H3
InChIKeyIFDSQDUGECLEHG-UHFFFAOYSA-N
XLogP1.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119965410
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63254819
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]ethanamine
CID 119965358
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 120999652
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267
1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965497
1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255131

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline?
The IUPAC name of 5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline (CID 119965411) is 5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline.
What is the SMILES notation for 5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline?
The canonical SMILES for 5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline is Cc1ccc(S(=O)(=O)N2CCCCC2C(C)N)cc1N(C)C.
What is the InChIKey of 5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline?
The InChIKey is IFDSQDUGECLEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-12-8-9-14(11-16(12)18(3)4)22(20,21)19-10-6-5-7-15(19)13(2)17/h8-9,11,13,15H,5-7,10,17H2,1-4H3.
What are the key properties of 5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline?
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline has a molecular weight of 325.48 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline is sourced from PubChem (CID 119965411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).