N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide

C10H19N3O2S — CID 84590516

IUPACN-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide
SMILESCCCc1nccn1CCCNS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-3-5-10-11-7-9-13(10)8-4-6-12-16(2,14)15/h7,9,12H,3-6,8H2,1-2H3
InChIKeyHPEZMCWXGFUJMD-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.77
Rot. Bonds7

About N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide

N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide (PubChem CID 84590516) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide
PubChem CID84590516
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide
SMILESCCCc1nccn1CCCNS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-3-5-10-11-7-9-13(10)8-4-6-12-16(2,14)15/h7,9,12H,3-6,8H2,1-2H3
InChIKeyHPEZMCWXGFUJMD-UHFFFAOYSA-N
XLogP0.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11212667
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
2-Methyl-1-[3-(sulfamoylamino)propyl]imidazole
CID 72713105
N-[2-[2-[(E)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]ethyl]-N-methylmethanesulfonamide chloride
CID 136100394
1-Butyl-3-ethylimidazolium trifluoromethane sulfonate
CID 87169316
4-(2-methyl-1H-imidazol-1-yl)butan-1-amine
CID 4379476
3-(2-Ethyl-1H-imidazol-1-yl)-1-propanamine
CID 6484134
1H-Imidazole-2-propanamine, 1-methyl-
CID 21861220
methyl[3-(2-methyl-1H-imidazol-1-yl)propyl]amine
CID 23004664
1-(1-methyl-1H-imidazol-2-yl)propan-2-amine
CID 46784351
3-(2-propyl-1H-imidazol-1-yl)propan-1-amine
CID 64150578

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide (CID 84590516) is N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide is CCCc1nccn1CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide?
The InChIKey is HPEZMCWXGFUJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-5-10-11-7-9-13(10)8-4-6-12-16(2,14)15/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide?
N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide has a molecular weight of 245.35 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 84590516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).