N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide

C11H23NO3S — CID 146435368

IUPACN-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide
SMILESCCC[C@H](CO)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C11H23NO3S/c1-4-5-11(8-13)12(10-6-7-10)16(14,15)9(2)3/h9-11,13H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyYACYNUGJWJDCQL-LLVKDONJSA-N
MW249.38 g/mol
LogP1.35
Rot. Bonds7

About N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide

N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide (PubChem CID 146435368) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide
PubChem CID146435368
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide
SMILESCCC[C@H](CO)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C11H23NO3S/c1-4-5-11(8-13)12(10-6-7-10)16(14,15)9(2)3/h9-11,13H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyYACYNUGJWJDCQL-LLVKDONJSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide (CID 146435368) is N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide is CCC[C@H](CO)N(C1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide?
The InChIKey is YACYNUGJWJDCQL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-5-11(8-13)12(10-6-7-10)16(14,15)9(2)3/h9-11,13H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide?
N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2R)-1-hydroxypentan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 146435368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).