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

C12H26N2O3S — CID 106075173

IUPACN-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O3S/c1-5-13-9-10(2)18(15,16)14-11-6-7-17-12(3,4)8-11/h10-11,13-14H,5-9H2,1-4H3
InChIKeyIPSIOMSRGGSLQR-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.86
Rot. Bonds6

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

N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide (PubChem CID 106075173) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide
PubChem CID106075173
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O3S/c1-5-13-9-10(2)18(15,16)14-11-6-7-17-12(3,4)8-11/h10-11,13-14H,5-9H2,1-4H3
InChIKeyIPSIOMSRGGSLQR-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106075141
1-(ethylamino)-N-(oxolan-3-yl)propane-2-sulfonamide
CID 106072560
1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077364
1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide
CID 106084518
2-[(2,2-dimethyloxan-4-yl)sulfamoyl]propanethioamide
CID 83028392
1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
CID 83033488
1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide
CID 106019118
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077363
N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
CID 83033238
N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
CID 106060304
N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 83035231

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide (CID 106075173) is N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide?
The InChIKey is IPSIOMSRGGSLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-5-13-9-10(2)18(15,16)14-11-6-7-17-12(3,4)8-11/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide?
N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.86, 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-(ethylamino)propane-2-sulfonamide is sourced from PubChem (CID 106075173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).