[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C10H16BrClN2O2S2 — CID 119988663

IUPAC[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCCC2CN)sc1Br.Cl
InChIInChI=1S/C10H15BrN2O2S2.ClH/c1-7-5-9(16-10(7)11)17(14,15)13-4-2-3-8(13)6-12;/h5,8H,2-4,6,12H2,1H3;1H
InChIKeyISGQALNPWFPAIH-UHFFFAOYSA-N
MW375.74 g/mol
LogP2.35
Rot. Bonds3

About [1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119988663) 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)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119988663
Molecular FormulaC10H16BrClN2O2S2
Molecular Weight375.74 g/mol
Exact Mass373.95
IUPAC Name[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCCC2CN)sc1Br.Cl
InChIInChI=1S/C10H15BrN2O2S2.ClH/c1-7-5-9(16-10(7)11)17(14,15)13-4-2-3-8(13)6-12;/h5,8H,2-4,6,12H2,1H3;1H
InChIKeyISGQALNPWFPAIH-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine
CID 79989386
2-(2-bromoethyl)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80671382
[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 113284428
[1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-3-yl]methanamine
CID 79988988
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-2-carbonitrile
CID 79989340
(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine
CID 124517018
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120712181
[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057755
3-bromo-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80676134
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 80577652

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 119988663) is [1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is Cc1cc(S(=O)(=O)N2CCCC2CN)sc1Br.Cl.
What is the InChIKey of [1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is ISGQALNPWFPAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2.ClH/c1-7-5-9(16-10(7)11)17(14,15)13-4-2-3-8(13)6-12;/h5,8H,2-4,6,12H2,1H3;1H.
What are the key properties of [1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 2.35, 3 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)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119988663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).