N-(3-imidazol-1-ylpropyl)methanesulfonamide

C7H13N3O2S — CID 3587152

IUPACN-(3-imidazol-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C7H13N3O2S/c1-13(11,12)9-3-2-5-10-6-4-8-7-10/h4,6-7,9H,2-3,5H2,1H3
InChIKeyRSTJLFKGVDKWJA-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.18
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)methanesulfonamide

N-(3-imidazol-1-ylpropyl)methanesulfonamide (PubChem CID 3587152) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)methanesulfonamide
PubChem CID3587152
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(3-imidazol-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C7H13N3O2S/c1-13(11,12)9-3-2-5-10-6-4-8-7-10/h4,6-7,9H,2-3,5H2,1H3
InChIKeyRSTJLFKGVDKWJA-UHFFFAOYSA-N
XLogP-0.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.18
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

1H-Imidazole-1-propanamine
CID 78736
1-Ethyl-3-methylimidazolium methanesulfonate
CID 16211849
1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
CID 2758874
1-Butyl-3-methylimidazolium trifluoromethanesulfonate
CID 2734246
4-(1H-imidazol-1-yl)butan-1-amine
CID 4379480
1-Methyl-3-propylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 12040508
3-(2-methyl-1H-imidazol-1-yl)propan-1-amine
CID 3152105
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381
N-Methylsulfonylimidazole
CID 521009
2-Methyl-1-[3-(sulfamoylamino)propyl]imidazole
CID 72713105
1,3-Dimethylimidazolium methanesulfonate
CID 11412872
[3-(1H-imidazol-1-yl)propyl](methyl)amine
CID 15034982

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)methanesulfonamide (CID 3587152) is N-(3-imidazol-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)methanesulfonamide is CS(=O)(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)methanesulfonamide?
The InChIKey is RSTJLFKGVDKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-13(11,12)9-3-2-5-10-6-4-8-7-10/h4,6-7,9H,2-3,5H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)methanesulfonamide?
N-(3-imidazol-1-ylpropyl)methanesulfonamide has a molecular weight of 203.27 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 3587152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).