1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride

C13H23ClN2O2S2 — CID 119959754

IUPAC1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC(N)C2)s1.Cl
InChIInChI=1S/C13H22N2O2S2.ClH/c1-13(2,3)11-6-7-12(18-11)19(16,17)15-8-4-5-10(14)9-15;/h6-7,10H,4-5,8-9,14H2,1-3H3;1H
InChIKeyKIBVVKGDSDZELH-UHFFFAOYSA-N
MW338.93 g/mol
LogP2.58
Rot. Bonds2

About 1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride

1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 119959754) has the molecular formula C13H23ClN2O2S2 and a molecular weight of 338.93 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID119959754
Molecular FormulaC13H23ClN2O2S2
Molecular Weight338.93 g/mol
Exact Mass338.09
IUPAC Name1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC(N)C2)s1.Cl
InChIInChI=1S/C13H22N2O2S2.ClH/c1-13(2,3)11-6-7-12(18-11)19(16,17)15-8-4-5-10(14)9-15;/h6-7,10H,4-5,8-9,14H2,1-3H3;1H
InChIKeyKIBVVKGDSDZELH-UHFFFAOYSA-N
XLogP2.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.93
LogP ≤ 52.58
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;hydrochloride
CID 119984523
1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine
CID 119984524
[1-(5-tert-butylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972118
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971533
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993403
1-(5-tert-butylthiophen-2-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963456
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
(3S,4R)-1-(5-tert-butylthiophen-2-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766657
(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine
CID 124517018
1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706008
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706058

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride (CID 119959754) is 1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride is CC(C)(C)c1ccc(S(=O)(=O)N2CCCC(N)C2)s1.Cl.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is KIBVVKGDSDZELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2.ClH/c1-13(2,3)11-6-7-12(18-11)19(16,17)15-8-4-5-10(14)9-15;/h6-7,10H,4-5,8-9,14H2,1-3H3;1H.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride?
1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 338.93 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119959754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).