2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride

C16H25Cl2N5O3S2 — CID 120818037

IUPAC2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride
SMILESCl.Cl.Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CCC(N)C(C)(C)C2)cn1
InChIInChI=1S/C16H23N5O3S2.2ClH/c1-16(2)10-21(6-4-13(16)17)15(22)14-12(5-7-25-14)26(23,24)19-11-8-18-20(3)9-11;;/h5,7-9,13,19H,4,6,10,17H2,1-3H3;2*1H
InChIKeyFFXPZYWSNSQQSF-UHFFFAOYSA-N
MW470.45 g/mol
LogP2.33
Rot. Bonds4

About 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride

2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride (PubChem CID 120818037) has the molecular formula C16H25Cl2N5O3S2 and a molecular weight of 470.45 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride
PubChem CID120818037
Molecular FormulaC16H25Cl2N5O3S2
Molecular Weight470.45 g/mol
Exact Mass469.08
IUPAC Name2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride
SMILESCl.Cl.Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CCC(N)C(C)(C)C2)cn1
InChIInChI=1S/C16H23N5O3S2.2ClH/c1-16(2)10-21(6-4-13(16)17)15(22)14-12(5-7-25-14)26(23,24)19-11-8-18-20(3)9-11;;/h5,7-9,13,19H,4,6,10,17H2,1-3H3;2*1H
InChIKeyFFXPZYWSNSQQSF-UHFFFAOYSA-N
XLogP2.33
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride (CID 120818037) is 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride is Cl.Cl.Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CCC(N)C(C)(C)C2)cn1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride?
The InChIKey is FFXPZYWSNSQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S2.2ClH/c1-16(2)10-21(6-4-13(16)17)15(22)14-12(5-7-25-14)26(23,24)19-11-8-18-20(3)9-11;;/h5,7-9,13,19H,4,6,10,17H2,1-3H3;2*1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride?
2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride has a molecular weight of 470.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide;dihydrochloride is sourced from PubChem (CID 120818037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).