N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide

C11H19N3O2S — CID 71632952

IUPACN-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide
SMILESCC(C)n1ccnc1C(C)S(=O)(=O)NC1CC1
InChIInChI=1S/C11H19N3O2S/c1-8(2)14-7-6-12-11(14)9(3)17(15,16)13-10-4-5-10/h6-10,13H,4-5H2,1-3H3
InChIKeyOLTIZKYGTNBFAE-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.61
Rot. Bonds5

About N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide

N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide (PubChem CID 71632952) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide
PubChem CID71632952
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide
SMILESCC(C)n1ccnc1C(C)S(=O)(=O)NC1CC1
InChIInChI=1S/C11H19N3O2S/c1-8(2)14-7-6-12-11(14)9(3)17(15,16)13-10-4-5-10/h6-10,13H,4-5H2,1-3H3
InChIKeyOLTIZKYGTNBFAE-UHFFFAOYSA-N
XLogP1.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide?
The IUPAC name of N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide (CID 71632952) is N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide is CC(C)n1ccnc1C(C)S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide?
The InChIKey is OLTIZKYGTNBFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(2)14-7-6-12-11(14)9(3)17(15,16)13-10-4-5-10/h6-10,13H,4-5H2,1-3H3.
What are the key properties of N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide?
N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide is sourced from PubChem (CID 71632952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).