1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide

C10H16N2O4S2 — CID 49245759

IUPAC1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc(CNS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O4S2/c1-11-18(15,16)8-10-5-3-4-9(6-10)7-12-17(2,13)14/h3-6,11-12H,7-8H2,1-2H3
InChIKeyCYUXMZJPMKXBQZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP-0.22
Rot. Bonds6

About 1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide

1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 49245759) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
PubChem CID49245759
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc(CNS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O4S2/c1-11-18(15,16)8-10-5-3-4-9(6-10)7-12-17(2,13)14/h3-6,11-12H,7-8H2,1-2H3
InChIKeyCYUXMZJPMKXBQZ-UHFFFAOYSA-N
XLogP-0.22
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 170337441
N-[(3-nitrosophenyl)methyl]methanesulfonamide
CID 123247228
[3-(methanesulfonamidomethyl)phenyl]-methyl-oxoazanium
CID 123326478
CID 70601747
CID 70601747
1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 106030794
N-methyl-1-[3-[[(6-methylpyrazin-2-yl)amino]methyl]phenyl]methanesulfonamide
CID 75507248
molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide
CID 142425737
N-[(3-nitrophenyl)methyl]methanesulfonamide
CID 47454245
1-[3-(methylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 114141318
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445
1-[3-[(1,3-benzothiazol-2-ylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 47087694

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide (CID 49245759) is 1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1cccc(CNS(C)(=O)=O)c1.
What is the InChIKey of 1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is CYUXMZJPMKXBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-11-18(15,16)8-10-5-3-4-9(6-10)7-12-17(2,13)14/h3-6,11-12H,7-8H2,1-2H3.
What are the key properties of 1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide?
1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 292.38 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 49245759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).