N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

C13H28N2O3S — CID 106075141

IUPACN-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C13H28N2O3S/c1-10(2)14-9-11(3)19(16,17)15-12-6-7-18-13(4,5)8-12/h10-12,14-15H,6-9H2,1-5H3
InChIKeyYNPYPRLMRRKQCH-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.25
Rot. Bonds6

About N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106075141) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106075141
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C13H28N2O3S/c1-10(2)14-9-11(3)19(16,17)15-12-6-7-18-13(4,5)8-12/h10-12,14-15H,6-9H2,1-5H3
InChIKeyYNPYPRLMRRKQCH-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106075173
N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065267
2-[(2,2-dimethyloxan-4-yl)sulfamoyl]propanethioamide
CID 83028392
N-(2,2-dimethylcyclopentyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106071033
1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
CID 83033488
N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106017805
N-(2-methylcyclohexyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114132164
N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 83035231
N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 83028887
3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine
CID 130574119
N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142340
4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
CID 106075175

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106075141) is N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is YNPYPRLMRRKQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-10(2)14-9-11(3)19(16,17)15-12-6-7-18-13(4,5)8-12/h10-12,14-15H,6-9H2,1-5H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106075141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).