3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide

C7H13N3O2S — CID 18682699

IUPAC3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCc1cnc[nH]1
InChIInChI=1S/C7H13N3O2S/c1-8-13(11,12)4-2-3-7-5-9-6-10-7/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyXPVKYTCNTUHCPB-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.11
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide

3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide (PubChem CID 18682699) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide
PubChem CID18682699
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCc1cnc[nH]1
InChIInChI=1S/C7H13N3O2S/c1-8-13(11,12)4-2-3-7-5-9-6-10-7/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyXPVKYTCNTUHCPB-UHFFFAOYSA-N
XLogP-0.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-5-ylmethylamino)-N-methylethanesulfonamide
CID 102674753
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
N-(1H-imidazol-5-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106069679
4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059991
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
CID 106066548
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 116816269
N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide
CID 18314087
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
5-hexyl-1H-imidazole
CID 14225142
methyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate
CID 65231275
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
methyl 6-(1H-imidazol-5-yl)hexanoate
CID 151564733

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide (CID 18682699) is 3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide?
The InChIKey is XPVKYTCNTUHCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-8-13(11,12)4-2-3-7-5-9-6-10-7/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide?
3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 18682699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).