N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine

C17H18N2O2S2 — CID 66924968

IUPACN-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine
SMILESCNCc1cn(S(=O)(=O)c2ccsc2)c(-c2ccccc2)c1C
InChIInChI=1S/C17H18N2O2S2/c1-13-15(10-18-2)11-19(17(13)14-6-4-3-5-7-14)23(20,21)16-8-9-22-12-16/h3-9,11-12,18H,10H2,1-2H3
InChIKeyDQSUGCWVCBOXSN-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.48
Rot. Bonds5

About N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine

N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine (PubChem CID 66924968) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine
PubChem CID66924968
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC NameN-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine
SMILESCNCc1cn(S(=O)(=O)c2ccsc2)c(-c2ccccc2)c1C
InChIInChI=1S/C17H18N2O2S2/c1-13-15(10-18-2)11-19(17(13)14-6-4-3-5-7-14)23(20,21)16-8-9-22-12-16/h3-9,11-12,18H,10H2,1-2H3
InChIKeyDQSUGCWVCBOXSN-UHFFFAOYSA-N
XLogP3.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
CID 66924782
1-[1-(benzenesulfonyl)-5-phenyl-4-propan-2-ylpyrrol-3-yl]-N-methylmethanamine
CID 66925222
1-[1-(benzenesulfonyl)-5-phenyl-4-propylpyrrol-3-yl]-N-methylmethanamine
CID 66924746
(E)-but-2-enedioic acid;1-[2-(2-fluorophenyl)-1-thiophen-3-ylsulfonylimidazol-4-yl]-N-methylmethanamine
CID 68746051
[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-thiophen-3-ylsulfonylpyrrol-3-yl]methyl-methylcarbamic acid
CID 69275723
N-methyl-1-[1-[(5-methyl-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]methanamine;dihydrochloride
CID 66974560
1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine
CID 66974764
2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106050066
1-[5-(2,6-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353590
2,2-dimethylpropyl-[[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-thiophen-3-ylsulfonylpyrrol-3-yl]methyl]carbamic acid
CID 67399485
N-methyl-1-[5-phenyl-1-[4-(trifluoromethylsulfonyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66925275
methane;N-methyl-1-[1-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanamine;oxalic acid
CID 159683971

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine (CID 66924968) is N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine is CNCc1cn(S(=O)(=O)c2ccsc2)c(-c2ccccc2)c1C.
What is the InChIKey of N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine?
The InChIKey is DQSUGCWVCBOXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-13-15(10-18-2)11-19(17(13)14-6-4-3-5-7-14)23(20,21)16-8-9-22-12-16/h3-9,11-12,18H,10H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine?
N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine has a molecular weight of 346.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66924968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).