1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride

C15H27ClN2O2S2 — CID 119984523

IUPAC1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)C1.Cl
InChIInChI=1S/C15H26N2O2S2.ClH/c1-11(16)12-6-5-9-17(10-12)21(18,19)14-8-7-13(20-14)15(2,3)4;/h7-8,11-12H,5-6,9-10,16H2,1-4H3;1H
InChIKeyDUJWDKYDGANLAR-UHFFFAOYSA-N
MW366.98 g/mol
LogP3.22
Rot. Bonds3

About 1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride

1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119984523) has the molecular formula C15H27ClN2O2S2 and a molecular weight of 366.98 g/mol. Its IUPAC name is 1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
PubChem CID119984523
Molecular FormulaC15H27ClN2O2S2
Molecular Weight366.98 g/mol
Exact Mass366.12
IUPAC Name1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)C1.Cl
InChIInChI=1S/C15H26N2O2S2.ClH/c1-11(16)12-6-5-9-17(10-12)21(18,19)14-8-7-13(20-14)15(2,3)4;/h7-8,11-12H,5-6,9-10,16H2,1-4H3;1H
InChIKeyDUJWDKYDGANLAR-UHFFFAOYSA-N
XLogP3.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.98
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine
CID 119984524
1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959754
[1-(5-tert-butylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972118
1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984251
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine
CID 80578318
(1S)-1-[(3S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124690297
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263
1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
CID 119984364
(1R)-1-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine
CID 124553883
1-[1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710910

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride (CID 119984523) is 1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)C1.Cl.
What is the InChIKey of 1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is DUJWDKYDGANLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2.ClH/c1-11(16)12-6-5-9-17(10-12)21(18,19)14-8-7-13(20-14)15(2,3)4;/h7-8,11-12H,5-6,9-10,16H2,1-4H3;1H.
What are the key properties of 1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 366.98 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119984523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).