N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide

C12H26N2O4S2 — CID 106141685

IUPACN-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide
SMILESCC(C)(CCCN)CNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O4S2/c1-12(2,6-3-7-13)10-14-20(17,18)11-4-8-19(15,16)9-5-11/h11,14H,3-10,13H2,1-2H3
InChIKeyQPQHZWZLYKAFEM-UHFFFAOYSA-N
MW326.48 g/mol
LogP0.25
Rot. Bonds7

About N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide

N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 106141685) has the molecular formula C12H26N2O4S2 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID106141685
Molecular FormulaC12H26N2O4S2
Molecular Weight326.48 g/mol
Exact Mass326.13
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide
SMILESCC(C)(CCCN)CNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O4S2/c1-12(2,6-3-7-13)10-14-20(17,18)11-4-8-19(15,16)9-5-11/h11,14H,3-10,13H2,1-2H3
InChIKeyQPQHZWZLYKAFEM-UHFFFAOYSA-N
XLogP0.25
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 65113264
N-(3-amino-2,2-dimethylpropyl)cyclobutanesulfonamide
CID 115270992
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014
N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide
CID 115270989
N-(5-amino-2,2-dimethylpentyl)methanesulfonamide
CID 106141702
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173824
N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106154133
N-(cyanomethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084754
N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
CID 106145688
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 66091585
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide
CID 114759085
2,2-dimethyl-N-(methylsulfamoyl)pentane-1,5-diamine
CID 106141802

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide (CID 106141685) is N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide is CC(C)(CCCN)CNS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is QPQHZWZLYKAFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S2/c1-12(2,6-3-7-13)10-14-20(17,18)11-4-8-19(15,16)9-5-11/h11,14H,3-10,13H2,1-2H3.
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide?
N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 326.48 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 106141685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).