3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide

C11H20N4O3S — CID 91835434

IUPAC3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide
SMILESCCCn1ccnc1CNC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-3-7-15-8-6-12-10(15)9-13-11(16)4-5-14-19(2,17)18/h6,8,14H,3-5,7,9H2,1-2H3,(H,13,16)
InChIKeyDRJQSVUYQJOHLW-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.15
Rot. Bonds8

About 3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide

3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide (PubChem CID 91835434) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide
PubChem CID91835434
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide
SMILESCCCn1ccnc1CNC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-3-7-15-8-6-12-10(15)9-13-11(16)4-5-14-19(2,17)18/h6,8,14H,3-5,7,9H2,1-2H3,(H,13,16)
InChIKeyDRJQSVUYQJOHLW-UHFFFAOYSA-N
XLogP-0.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide (CID 91835434) is 3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide is CCCn1ccnc1CNC(=O)CCNS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide?
The InChIKey is DRJQSVUYQJOHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-7-15-8-6-12-10(15)9-13-11(16)4-5-14-19(2,17)18/h6,8,14H,3-5,7,9H2,1-2H3,(H,13,16).
What are the key properties of 3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide?
3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide has a molecular weight of 288.37 g/mol, XLogP of -0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(1-propylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 91835434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).