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

C11H21N3O2S — CID 97175126

IUPAC(1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide
SMILESCC(C)NS(=O)(=O)[C@H](C)c1nccn1C(C)C
InChIInChI=1S/C11H21N3O2S/c1-8(2)13-17(15,16)10(5)11-12-6-7-14(11)9(3)4/h6-10,13H,1-5H3/t10-/m1/s1
InChIKeyYHUAPIZKHQMOMA-SNVBAGLBSA-N
MW259.38 g/mol
LogP1.85
Rot. Bonds5

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

(1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide (PubChem CID 97175126) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is (1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name(1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide
PubChem CID97175126
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name(1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide
SMILESCC(C)NS(=O)(=O)[C@H](C)c1nccn1C(C)C
InChIInChI=1S/C11H21N3O2S/c1-8(2)13-17(15,16)10(5)11-12-6-7-14(11)9(3)4/h6-10,13H,1-5H3/t10-/m1/s1
InChIKeyYHUAPIZKHQMOMA-SNVBAGLBSA-N
XLogP1.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide?
The IUPAC name of (1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide (CID 97175126) is (1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide.
What is the SMILES notation for (1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide?
The canonical SMILES for (1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide is CC(C)NS(=O)(=O)[C@H](C)c1nccn1C(C)C.
What is the InChIKey of (1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide?
The InChIKey is YHUAPIZKHQMOMA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-8(2)13-17(15,16)10(5)11-12-6-7-14(11)9(3)4/h6-10,13H,1-5H3/t10-/m1/s1.
What are the key properties of (1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide?
(1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide has a molecular weight of 259.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-propan-2-yl-1-(1-propan-2-ylimidazol-2-yl)ethanesulfonamide is sourced from PubChem (CID 97175126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).