N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide

C11H24N2O3S — CID 54972333

IUPACN-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C11H24N2O3S/c1-10(2)12-6-9-17(14,15)13(3)11-4-7-16-8-5-11/h10-12H,4-9H2,1-3H3
InChIKeyYCKVYVZSHYADAY-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds6

About N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide

N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54972333) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54972333
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C11H24N2O3S/c1-10(2)12-6-9-17(14,15)13(3)11-4-7-16-8-5-11/h10-12H,4-9H2,1-3H3
InChIKeyYCKVYVZSHYADAY-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide (CID 54972333) is N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)N(C)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is YCKVYVZSHYADAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(2)12-6-9-17(14,15)13(3)11-4-7-16-8-5-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide?
N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54972333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).