N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide

C11H22N2O4S2 — CID 146644275

IUPACN-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide
SMILESCC(CCC(C)S(=O)(=O)CC#N)NS(=O)(=O)C(C)C
InChIInChI=1S/C11H22N2O4S2/c1-9(2)19(16,17)13-10(3)5-6-11(4)18(14,15)8-7-12/h9-11,13H,5-6,8H2,1-4H3
InChIKeyGRXBYNQBSISCIR-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.81
Rot. Bonds8

About N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide

N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide (PubChem CID 146644275) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide
PubChem CID146644275
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC NameN-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide
SMILESCC(CCC(C)S(=O)(=O)CC#N)NS(=O)(=O)C(C)C
InChIInChI=1S/C11H22N2O4S2/c1-9(2)19(16,17)13-10(3)5-6-11(4)18(14,15)8-7-12/h9-11,13H,5-6,8H2,1-4H3
InChIKeyGRXBYNQBSISCIR-UHFFFAOYSA-N
XLogP0.81
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide (CID 146644275) is N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide is CC(CCC(C)S(=O)(=O)CC#N)NS(=O)(=O)C(C)C.
What is the InChIKey of N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide?
The InChIKey is GRXBYNQBSISCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c1-9(2)19(16,17)13-10(3)5-6-11(4)18(14,15)8-7-12/h9-11,13H,5-6,8H2,1-4H3.
What are the key properties of N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide?
N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyanomethylsulfonyl)hexan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 146644275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).