N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide

C9H16N2O4S2 — CID 62084942

IUPACN-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C9H16N2O4S2/c1-9(2,7-10)11-17(14,15)8-3-5-16(12,13)6-4-8/h8,11H,3-6H2,1-2H3
InChIKeyZDZDCHTYXJYNPW-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.21
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide

N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 62084942) has the molecular formula C9H16N2O4S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide
PubChem CID62084942
Molecular FormulaC9H16N2O4S2
Molecular Weight280.37 g/mol
Exact Mass280.06
IUPAC NameN-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C9H16N2O4S2/c1-9(2,7-10)11-17(14,15)8-3-5-16(12,13)6-4-8/h8,11H,3-6H2,1-2H3
InChIKeyZDZDCHTYXJYNPW-UHFFFAOYSA-N
XLogP-0.21
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyanomethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084754
2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid
CID 62086192
2-[(1,1-dioxothian-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790470
2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-ethylbutanethioamide
CID 62084057
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014
N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 65113264
N-(2-cyanobutan-2-yl)cyclohexanesulfonamide
CID 61122113
1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide
CID 62734059
N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106141685
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpentanoate
CID 43624453
N-(2-cyanopropan-2-yl)propane-1-sulfonamide
CID 61127904
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
CID 83030738

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide (CID 62084942) is N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide is CC(C)(C#N)NS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is ZDZDCHTYXJYNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S2/c1-9(2,7-10)11-17(14,15)8-3-5-16(12,13)6-4-8/h8,11H,3-6H2,1-2H3.
What are the key properties of N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide?
N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 280.37 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62084942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).