1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride

C15H19ClN2O2S — CID 66924914

IUPAC1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(C2CC2)n(S(=O)(=O)c2ccccc2)c1.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-16-10-12-9-15(13-7-8-13)17(11-12)20(18,19)14-5-3-2-4-6-14;/h2-6,9,11,13,16H,7-8,10H2,1H3;1H
InChIKeyVVHRKFGJKUWHNT-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.74
Rot. Bonds5

About 1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride

1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 66924914) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID66924914
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(C2CC2)n(S(=O)(=O)c2ccccc2)c1.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-16-10-12-9-15(13-7-8-13)17(11-12)20(18,19)14-5-3-2-4-6-14;/h2-6,9,11,13,16H,7-8,10H2,1H3;1H
InChIKeyVVHRKFGJKUWHNT-UHFFFAOYSA-N
XLogP2.74
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(5-methyl-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]methanamine;dihydrochloride
CID 66974560
N-methyl-1-[5-phenyl-1-[4-(trifluoromethylsulfonyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66925275
N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride
CID 66925129
1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine
CID 66974764
1-[5-(benzenesulfonyl)-1-phenylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 118728090
N-(cyclopropylsulfamoyl)-3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylaniline;hydrochloride
CID 171614470
1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 178134547
1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 66925302
N-methyl-1-[5-(6-phenyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
CID 154725866
1-[1-[3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]sulfonyl-5-(2-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 167310347
1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine
CID 66925222
3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenol
CID 90168780

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride (CID 66924914) is 1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride is CNCc1cc(C2CC2)n(S(=O)(=O)c2ccccc2)c1.Cl.
What is the InChIKey of 1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is VVHRKFGJKUWHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S.ClH/c1-16-10-12-9-15(13-7-8-13)17(11-12)20(18,19)14-5-3-2-4-6-14;/h2-6,9,11,13,16H,7-8,10H2,1H3;1H.
What are the key properties of 1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-5-cyclopropylpyrrol-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 66924914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).