N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide

C9H18N4O2S — CID 63026028

IUPACN-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)N(C)Cc1nccn1C
InChIInChI=1S/C9H18N4O2S/c1-10-5-7-16(14,15)13(3)8-9-11-4-6-12(9)2/h4,6,10H,5,7-8H2,1-3H3
InChIKeyJBQMMDNGQDPUET-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.60
Rot. Bonds6

About N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide

N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide (PubChem CID 63026028) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
PubChem CID63026028
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)N(C)Cc1nccn1C
InChIInChI=1S/C9H18N4O2S/c1-10-5-7-16(14,15)13(3)8-9-11-4-6-12(9)2/h4,6,10H,5,7-8H2,1-3H3
InChIKeyJBQMMDNGQDPUET-UHFFFAOYSA-N
XLogP-0.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63024504
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664864
2,4-dibromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61063161
2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664874
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
2-amino-4-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61140335
4-amino-2,6-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61141101
2-amino-N,4,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61139198
4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575
N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 114275837
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
The IUPAC name of N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide (CID 63026028) is N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide is CNCCS(=O)(=O)N(C)Cc1nccn1C.
What is the InChIKey of N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
The InChIKey is JBQMMDNGQDPUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-10-5-7-16(14,15)13(3)8-9-11-4-6-12(9)2/h4,6,10H,5,7-8H2,1-3H3.
What are the key properties of N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 63026028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).