N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide

C15H26N2O3S — CID 167759061

IUPACN-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide
SMILESCC(C)N(Cc1cncc(C(C)(C)C)c1)S(=O)(=O)CCO
InChIInChI=1S/C15H26N2O3S/c1-12(2)17(21(19,20)7-6-18)11-13-8-14(10-16-9-13)15(3,4)5/h8-10,12,18H,6-7,11H2,1-5H3
InChIKeyTYYQZMMTZLPGCN-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.91
Rot. Bonds6

About N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide

N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide (PubChem CID 167759061) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide
PubChem CID167759061
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide
SMILESCC(C)N(Cc1cncc(C(C)(C)C)c1)S(=O)(=O)CCO
InChIInChI=1S/C15H26N2O3S/c1-12(2)17(21(19,20)7-6-18)11-13-8-14(10-16-9-13)15(3,4)5/h8-10,12,18H,6-7,11H2,1-5H3
InChIKeyTYYQZMMTZLPGCN-UHFFFAOYSA-N
XLogP1.91
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide?
The IUPAC name of N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide (CID 167759061) is N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide?
The canonical SMILES for N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide is CC(C)N(Cc1cncc(C(C)(C)C)c1)S(=O)(=O)CCO.
What is the InChIKey of N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide?
The InChIKey is TYYQZMMTZLPGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-12(2)17(21(19,20)7-6-18)11-13-8-14(10-16-9-13)15(3,4)5/h8-10,12,18H,6-7,11H2,1-5H3.
What are the key properties of N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide?
N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 167759061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).