N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride

C17H30ClN3O3S2 — CID 119652797

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(C)(C)CN)s2)CC1.Cl
InChIInChI=1S/C17H29N3O3S2.ClH/c1-13-7-9-20(10-8-13)25(22,23)15-6-5-14(24-15)16(21)19(4)12-17(2,3)11-18;/h5-6,13H,7-12,18H2,1-4H3;1H
InChIKeySLNLINWQGJNQNQ-UHFFFAOYSA-N
MW424.03 g/mol
LogP2.65
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride (PubChem CID 119652797) has the molecular formula C17H30ClN3O3S2 and a molecular weight of 424.03 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
PubChem CID119652797
Molecular FormulaC17H30ClN3O3S2
Molecular Weight424.03 g/mol
Exact Mass423.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(C)(C)CN)s2)CC1.Cl
InChIInChI=1S/C17H29N3O3S2.ClH/c1-13-7-9-20(10-8-13)25(22,23)15-6-5-14(24-15)16(21)19(4)12-17(2,3)11-18;/h5-6,13H,7-12,18H2,1-4H3;1H
InChIKeySLNLINWQGJNQNQ-UHFFFAOYSA-N
XLogP2.65
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.03
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride (CID 119652797) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride is CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(C)(C)CN)s2)CC1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
The InChIKey is SLNLINWQGJNQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S2.ClH/c1-13-7-9-20(10-8-13)25(22,23)15-6-5-14(24-15)16(21)19(4)12-17(2,3)11-18;/h5-6,13H,7-12,18H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride has a molecular weight of 424.03 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119652797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).