1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride

C10H16BrClN2O2S2 — CID 120585555

IUPAC1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CC(C)C(N)C2)sc1Br.Cl
InChIInChI=1S/C10H15BrN2O2S2.ClH/c1-6-3-9(16-10(6)11)17(14,15)13-4-7(2)8(12)5-13;/h3,7-8H,4-5,12H2,1-2H3;1H
InChIKeyULDZUMJGEISHGG-UHFFFAOYSA-N
MW375.74 g/mol
LogP2.21
Rot. Bonds2

About 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride

1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120585555) has the molecular formula C10H16BrClN2O2S2 and a molecular weight of 375.74 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120585555
Molecular FormulaC10H16BrClN2O2S2
Molecular Weight375.74 g/mol
Exact Mass373.95
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CC(C)C(N)C2)sc1Br.Cl
InChIInChI=1S/C10H15BrN2O2S2.ClH/c1-6-3-9(16-10(6)11)17(14,15)13-4-7(2)8(12)5-13;/h3,7-8H,4-5,12H2,1-2H3;1H
InChIKeyULDZUMJGEISHGG-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride (CID 120585555) is 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride is Cc1cc(S(=O)(=O)N2CC(C)C(N)C2)sc1Br.Cl.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is ULDZUMJGEISHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2.ClH/c1-6-3-9(16-10(6)11)17(14,15)13-4-7(2)8(12)5-13;/h3,7-8H,4-5,12H2,1-2H3;1H.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120585555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).