1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide

C10H18N4O3S — CID 173085094

IUPAC1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide
SMILESCN(CCn1ccnc1C(N)=O)CCS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-13(7-8-18(2,16)17)5-6-14-4-3-12-10(14)9(11)15/h3-4H,5-8H2,1-2H3,(H2,11,15)
InChIKeyMPAXDZFPOGDYJO-UHFFFAOYSA-N
MW274.35 g/mol
LogP-1.04
Rot. Bonds7

About 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide

1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide (PubChem CID 173085094) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide
PubChem CID173085094
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide
SMILESCN(CCn1ccnc1C(N)=O)CCS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-13(7-8-18(2,16)17)5-6-14-4-3-12-10(14)9(11)15/h3-4H,5-8H2,1-2H3,(H2,11,15)
InChIKeyMPAXDZFPOGDYJO-UHFFFAOYSA-N
XLogP-1.04
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide?
The IUPAC name of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide (CID 173085094) is 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide?
The canonical SMILES for 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide is CN(CCn1ccnc1C(N)=O)CCS(C)(=O)=O.
What is the InChIKey of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide?
The InChIKey is MPAXDZFPOGDYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-13(7-8-18(2,16)17)5-6-14-4-3-12-10(14)9(11)15/h3-4H,5-8H2,1-2H3,(H2,11,15).
What are the key properties of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide?
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of -1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide is sourced from PubChem (CID 173085094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).