1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide

C10H20N2O2S — CID 55206618

IUPAC1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)CC#N
InChIInChI=1S/C10H20N2O2S/c1-9(2)7-12(8-10(3)4)15(13,14)6-5-11/h9-10H,6-8H2,1-4H3
InChIKeyVHHGVQICFPYWKL-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.45
Rot. Bonds6

About 1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide

1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide (PubChem CID 55206618) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide
PubChem CID55206618
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)CC#N
InChIInChI=1S/C10H20N2O2S/c1-9(2)7-12(8-10(3)4)15(13,14)6-5-11/h9-10H,6-8H2,1-4H3
InChIKeyVHHGVQICFPYWKL-UHFFFAOYSA-N
XLogP1.45
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide?
The IUPAC name of 1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide (CID 55206618) is 1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide?
The InChIKey is VHHGVQICFPYWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9(2)7-12(8-10(3)4)15(13,14)6-5-11/h9-10H,6-8H2,1-4H3.
What are the key properties of 1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide?
1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide has a molecular weight of 232.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,N-bis(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 55206618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).