N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide

C12H28N2O3S — CID 114142427

IUPACN-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NCC(C)(C)OCC
InChIInChI=1S/C12H28N2O3S/c1-6-8-13-9-11(3)18(15,16)14-10-12(4,5)17-7-2/h11,13-14H,6-10H2,1-5H3
InChIKeyMDSPTJABBGKJCU-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.11
Rot. Bonds10

About N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide

N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide (PubChem CID 114142427) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide
PubChem CID114142427
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC NameN-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NCC(C)(C)OCC
InChIInChI=1S/C12H28N2O3S/c1-6-8-13-9-11(3)18(15,16)14-10-12(4,5)17-7-2/h11,13-14H,6-10H2,1-5H3
InChIKeyMDSPTJABBGKJCU-UHFFFAOYSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutyl)-1-(propylamino)propane-2-sulfonamide
CID 114142376
2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane
CID 106086751
N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114944335
N-(2-ethoxy-2-methylpropyl)ethanesulfonamide
CID 114944336
N-(2-ethoxy-2-methylpropyl)methanesulfonamide
CID 114944342
N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106079958
2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
N-(6-methylsulfanylhexyl)-1-(propylamino)propane-2-sulfonamide
CID 106090470
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106082678
N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide
CID 106085654
N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide
CID 107088893
N-[(3-methyl-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106083583

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide (CID 114142427) is N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)NCC(C)(C)OCC.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide?
The InChIKey is MDSPTJABBGKJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-6-8-13-9-11(3)18(15,16)14-10-12(4,5)17-7-2/h11,13-14H,6-10H2,1-5H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide?
N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide has a molecular weight of 280.43 g/mol, XLogP of 1.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 114142427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).