1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide

C8H13N3O2S — CID 10889286

IUPAC1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide
SMILESCC(C)C(C#N)N(C)S(=O)(=O)CC#N
InChIInChI=1S/C8H13N3O2S/c1-7(2)8(6-10)11(3)14(12,13)5-4-9/h7-8H,5H2,1-3H3
InChIKeyBICGPJNJZDLNBQ-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.32
Rot. Bonds4

About 1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide

1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide (PubChem CID 10889286) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide
PubChem CID10889286
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide
SMILESCC(C)C(C#N)N(C)S(=O)(=O)CC#N
InChIInChI=1S/C8H13N3O2S/c1-7(2)8(6-10)11(3)14(12,13)5-4-9/h7-8H,5H2,1-3H3
InChIKeyBICGPJNJZDLNBQ-UHFFFAOYSA-N
XLogP0.32
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide (CID 10889286) is 1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide is CC(C)C(C#N)N(C)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide?
The InChIKey is BICGPJNJZDLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-7(2)8(6-10)11(3)14(12,13)5-4-9/h7-8H,5H2,1-3H3.
What are the key properties of 1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide?
1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 10889286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).