N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide

C9H18N4O2S — CID 106066562

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C9H18N4O2S/c1-8(5-10-2)16(14,15)13-4-3-9-6-11-7-12-9/h6-8,10,13H,3-5H2,1-2H3,(H,11,12)
InChIKeySEAKXYKEGVOPDS-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.52
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide (PubChem CID 106066562) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide
PubChem CID106066562
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C9H18N4O2S/c1-8(5-10-2)16(14,15)13-4-3-9-6-11-7-12-9/h6-8,10,13H,3-5H2,1-2H3,(H,11,12)
InChIKeySEAKXYKEGVOPDS-UHFFFAOYSA-N
XLogP-0.52
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
CID 65231882
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide
CID 79673996
3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 22084622
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106066522
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
CID 106066548
N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
CID 65232249
methyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate
CID 65231275
2,5-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231103
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide (CID 106066562) is N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide?
The InChIKey is SEAKXYKEGVOPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-8(5-10-2)16(14,15)13-4-3-9-6-11-7-12-9/h6-8,10,13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106066562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).