N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide

C10H18N4O3S — CID 81269671

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide
SMILESCCN(CCCNC(=O)n1ccnc1)S(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-3-14(18(2,16)17)7-4-5-12-10(15)13-8-6-11-9-13/h6,8-9H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyBXDKNAUXYKQKBM-UHFFFAOYSA-N
MW274.35 g/mol
LogP0.11
Rot. Bonds6

About N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide (PubChem CID 81269671) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide
PubChem CID81269671
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide
SMILESCCN(CCCNC(=O)n1ccnc1)S(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-3-14(18(2,16)17)7-4-5-12-10(15)13-8-6-11-9-13/h6,8-9H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyBXDKNAUXYKQKBM-UHFFFAOYSA-N
XLogP0.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide (CID 81269671) is N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide is CCN(CCCNC(=O)n1ccnc1)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide?
The InChIKey is BXDKNAUXYKQKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-3-14(18(2,16)17)7-4-5-12-10(15)13-8-6-11-9-13/h6,8-9H,3-5,7H2,1-2H3,(H,12,15).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]imidazole-1-carboxamide is sourced from PubChem (CID 81269671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).