N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide

C11H23NO3S — CID 146435833

IUPACN-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(CC1CC1)[C@@H](CO)C(C)C
InChIInChI=1S/C11H23NO3S/c1-4-16(14,15)12(7-10-5-6-10)11(8-13)9(2)3/h9-11,13H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyLOVBAQWAGNAIIM-NSHDSACASA-N
MW249.38 g/mol
LogP1.07
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide

N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide (PubChem CID 146435833) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide
PubChem CID146435833
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(CC1CC1)[C@@H](CO)C(C)C
InChIInChI=1S/C11H23NO3S/c1-4-16(14,15)12(7-10-5-6-10)11(8-13)9(2)3/h9-11,13H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyLOVBAQWAGNAIIM-NSHDSACASA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide (CID 146435833) is N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide is CCS(=O)(=O)N(CC1CC1)[C@@H](CO)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide?
The InChIKey is LOVBAQWAGNAIIM-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-16(14,15)12(7-10-5-6-10)11(8-13)9(2)3/h9-11,13H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide?
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]ethanesulfonamide is sourced from PubChem (CID 146435833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).