N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide

C7H12N4O3S — CID 43546302

IUPACN-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)n1ccnc1
InChIInChI=1S/C7H12N4O3S/c1-15(13,14)10-3-2-9-7(12)11-5-4-8-6-11/h4-6,10H,2-3H2,1H3,(H,9,12)
InChIKeyKIZSZPUTMULTDG-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.01
Rot. Bonds4

About N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide

N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide (PubChem CID 43546302) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide
PubChem CID43546302
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC NameN-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)n1ccnc1
InChIInChI=1S/C7H12N4O3S/c1-15(13,14)10-3-2-9-7(12)11-5-4-8-6-11/h4-6,10H,2-3H2,1H3,(H,9,12)
InChIKeyKIZSZPUTMULTDG-UHFFFAOYSA-N
XLogP-1.01
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-sulfanylethyl)imidazole-1-carboxamide
CID 58107367
N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide
CID 106037947
N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
CID 81258075
2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate
CID 67424696
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
CID 102908387
N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
CID 43566693
N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide
CID 81257028
N-(2,2-diethoxyethyl)imidazole-1-carboxamide
CID 81269425
N-octadec-9-enylimidazole-1-carboxamide
CID 54037396
N-(6-imidazol-1-ylhexyl)methanesulfonamide
CID 110441232
N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 28818830
CID 88901306
CID 88901306

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide (CID 43546302) is N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide is CS(=O)(=O)NCCNC(=O)n1ccnc1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide?
The InChIKey is KIZSZPUTMULTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-15(13,14)10-3-2-9-7(12)11-5-4-8-6-11/h4-6,10H,2-3H2,1H3,(H,9,12).
What are the key properties of N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide?
N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide has a molecular weight of 232.26 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 43546302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).