N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride

C12H23ClN2O2S2 — CID 119975669

IUPACN-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)c1ccc(C(C)(C)C)s1.Cl
InChIInChI=1S/C12H22N2O2S2.ClH/c1-11(2,3)9-6-7-10(17-9)18(15,16)14-12(4,5)8-13;/h6-7,14H,8,13H2,1-5H3;1H
InChIKeyXSWTVSWCARCODW-UHFFFAOYSA-N
MW326.92 g/mol
LogP2.48
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride (PubChem CID 119975669) has the molecular formula C12H23ClN2O2S2 and a molecular weight of 326.92 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride
PubChem CID119975669
Molecular FormulaC12H23ClN2O2S2
Molecular Weight326.92 g/mol
Exact Mass326.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)c1ccc(C(C)(C)C)s1.Cl
InChIInChI=1S/C12H22N2O2S2.ClH/c1-11(2,3)9-6-7-10(17-9)18(15,16)14-12(4,5)8-13;/h6-7,14H,8,13H2,1-5H3;1H
InChIKeyXSWTVSWCARCODW-UHFFFAOYSA-N
XLogP2.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.92
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 162306954
CID 162306954
N-[3-(aminomethyl)pentan-3-yl]-5-methylthiophene-2-sulfonamide;hydrochloride
CID 119981104
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CID 79989371
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-(2-amino-5-fluorophenyl)-5-tert-butylthiophene-2-sulfonamide
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CID 120717305
N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide
CID 119975725
N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide
CID 120582292
sodium 5-tert-butylthiophene-2-sulfonic acid
CID 54609518
5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 19682083
2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide
CID 136516901
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 119974367

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride (CID 119975669) is N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride is CC(C)(CN)NS(=O)(=O)c1ccc(C(C)(C)C)s1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride?
The InChIKey is XSWTVSWCARCODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2.ClH/c1-11(2,3)9-6-7-10(17-9)18(15,16)14-12(4,5)8-13;/h6-7,14H,8,13H2,1-5H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride has a molecular weight of 326.92 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119975669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).