N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide

C11H26N2O4S — CID 71911079

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C11H26N2O4S/c1-10(2)17-6-7-18(15,16)12-8-11(3,14)9-13(4)5/h10,12,14H,6-9H2,1-5H3
InChIKeyJJUJZRSZUMFKFP-UHFFFAOYSA-N
MW282.41 g/mol
LogP-0.36
Rot. Bonds9

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 71911079) has the molecular formula C11H26N2O4S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID71911079
Molecular FormulaC11H26N2O4S
Molecular Weight282.41 g/mol
Exact Mass282.16
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C11H26N2O4S/c1-10(2)17-6-7-18(15,16)12-8-11(3,14)9-13(4)5/h10,12,14H,6-9H2,1-5H3
InChIKeyJJUJZRSZUMFKFP-UHFFFAOYSA-N
XLogP-0.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide (CID 71911079) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is JJUJZRSZUMFKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4S/c1-10(2)17-6-7-18(15,16)12-8-11(3,14)9-13(4)5/h10,12,14H,6-9H2,1-5H3.
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of -0.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 71911079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).