N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

C11H24N2O3S — CID 106065267

IUPACN-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C11H24N2O3S/c1-9(2)12-7-10(3)17(14,15)13-11-5-4-6-16-8-11/h9-13H,4-8H2,1-3H3
InChIKeyXFZFSEVBSKZNBK-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.47
Rot. Bonds6

About N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106065267) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106065267
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C11H24N2O3S/c1-9(2)12-7-10(3)17(14,15)13-11-5-4-6-16-8-11/h9-13H,4-8H2,1-3H3
InChIKeyXFZFSEVBSKZNBK-UHFFFAOYSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-N-(oxolan-3-yl)propane-2-sulfonamide
CID 106072560
N-(oxan-3-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106065217
N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106075141
N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106017805
N-(oxan-3-yl)propane-1-sulfonamide
CID 63611666
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
N-(2-methylcyclohexyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114132164
N-cyclohexylbutane-2-sulfonamide
CID 59716186
N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142340
N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106065252
N-(2,2-dimethylcyclopentyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106071033
N-cyclodecylpropane-2-sulfonamide
CID 131977128

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106065267) is N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NC1CCCOC1.
What is the InChIKey of N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is XFZFSEVBSKZNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(2)12-7-10(3)17(14,15)13-11-5-4-6-16-8-11/h9-13H,4-8H2,1-3H3.
What are the key properties of N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106065267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).