1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide

C12H26N2O3S — CID 83033488

IUPAC1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)C(C)CN)CCO1
InChIInChI=1S/C12H26N2O3S/c1-4-12(5-2)8-11(6-7-17-12)14-18(15,16)10(3)9-13/h10-11,14H,4-9,13H2,1-3H3
InChIKeyUZACGJMSQPUHQX-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.99
Rot. Bonds6

About 1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide

1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide (PubChem CID 83033488) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
PubChem CID83033488
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)C(C)CN)CCO1
InChIInChI=1S/C12H26N2O3S/c1-4-12(5-2)8-11(6-7-17-12)14-18(15,16)10(3)9-13/h10-11,14H,4-9,13H2,1-3H3
InChIKeyUZACGJMSQPUHQX-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide (CID 83033488) is 1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide is CCC1(CC)CC(NS(=O)(=O)C(C)CN)CCO1.
What is the InChIKey of 1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide?
The InChIKey is UZACGJMSQPUHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-12(5-2)8-11(6-7-17-12)14-18(15,16)10(3)9-13/h10-11,14H,4-9,13H2,1-3H3.
What are the key properties of 1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide?
1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 83033488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).