N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide

C13H16N2O2S2 — CID 28731496

IUPACN-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1ccc(CNc2cccc(NS(C)(=O)=O)c2)s1
InChIInChI=1S/C13H16N2O2S2/c1-10-6-7-13(18-10)9-14-11-4-3-5-12(8-11)15-19(2,16)17/h3-8,14-15H,9H2,1-2H3
InChIKeyRQHIYMIKSNFTNR-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.04
Rot. Bonds5

About N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide

N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 28731496) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID28731496
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1ccc(CNc2cccc(NS(C)(=O)=O)c2)s1
InChIInChI=1S/C13H16N2O2S2/c1-10-6-7-13(18-10)9-14-11-4-3-5-12(8-11)15-19(2,16)17/h3-8,14-15H,9H2,1-2H3
InChIKeyRQHIYMIKSNFTNR-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(5-cyanothiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 115743740
N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 167755284
3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 28614899
2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 71913402
tert-butyl N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107240037
2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene
CID 43742009
N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 28731454
N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide
CID 61171584
N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691900
N-[(5-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)aniline
CID 43738809
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
N-[3-[(5-nitrofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43771752

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide (CID 28731496) is N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide is Cc1ccc(CNc2cccc(NS(C)(=O)=O)c2)s1.
What is the InChIKey of N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is RQHIYMIKSNFTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10-6-7-13(18-10)9-14-11-4-3-5-12(8-11)15-19(2,16)17/h3-8,14-15H,9H2,1-2H3.
What are the key properties of N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide?
N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 28731496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).