N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide

C10H18N2O2S2 — CID 65243947

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C10H18N2O2S2/c1-8-6-10(15-9(8)2)7-12-16(13,14)5-4-11-3/h6,11-12H,4-5,7H2,1-3H3
InChIKeyWAOOSBSNHUCRGH-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.00
Rot. Bonds6

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide (PubChem CID 65243947) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide
PubChem CID65243947
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C10H18N2O2S2/c1-8-6-10(15-9(8)2)7-12-16(13,14)5-4-11-3/h6,11-12H,4-5,7H2,1-3H3
InChIKeyWAOOSBSNHUCRGH-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 65245329
1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide
CID 65245746
methyl 4-[(4,5-dimethylthiophen-2-yl)methylsulfamoyl]butanoate
CID 65246530
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 79570103
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
CID 65243774
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 65243443
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 65246698
2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide
CID 62525259
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
CID 65246264
4-amino-3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246067
4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65244040
4,5-dimethyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 84597266

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide (CID 65243947) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)NCc1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide?
The InChIKey is WAOOSBSNHUCRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-8-6-10(15-9(8)2)7-12-16(13,14)5-4-11-3/h6,11-12H,4-5,7H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide has a molecular weight of 262.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 65243947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).