N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide

C11H20N4O2S — CID 125441934

IUPACN-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide
SMILESC[C@H](CNS(=O)(=O)C1CC1)NCCc1ncc[nH]1
InChIInChI=1S/C11H20N4O2S/c1-9(8-15-18(16,17)10-2-3-10)12-5-4-11-13-6-7-14-11/h6-7,9-10,12,15H,2-5,8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyCTQYFBJUITVHSI-SECBINFHSA-N
MW272.37 g/mol
LogP0.01
Rot. Bonds8

About N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide

N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide (PubChem CID 125441934) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide
PubChem CID125441934
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide
SMILESC[C@H](CNS(=O)(=O)C1CC1)NCCc1ncc[nH]1
InChIInChI=1S/C11H20N4O2S/c1-9(8-15-18(16,17)10-2-3-10)12-5-4-11-13-6-7-14-11/h6-7,9-10,12,15H,2-5,8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyCTQYFBJUITVHSI-SECBINFHSA-N
XLogP0.01
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide
CID 122564866
(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine
CID 125437759
N-[(2R)-2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]cyclopropanesulfonamide
CID 125443200
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 114810323
N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide
CID 125443004
N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine
CID 131916831
N-(1H-imidazol-2-yl)cyclopropanesulfonamide
CID 64554108
N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428805
N-[(2R)-2-[[3-(hydroxymethyl)phenyl]methylamino]propyl]cyclopropanesulfonamide
CID 125435236
4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide
CID 106081694
(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
CID 95136036

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide?
The IUPAC name of N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide (CID 125441934) is N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide is C[C@H](CNS(=O)(=O)C1CC1)NCCc1ncc[nH]1.
What is the InChIKey of N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide?
The InChIKey is CTQYFBJUITVHSI-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(8-15-18(16,17)10-2-3-10)12-5-4-11-13-6-7-14-11/h6-7,9-10,12,15H,2-5,8H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide?
N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide is sourced from PubChem (CID 125441934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).