1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide

C7H14N2O3S — CID 64605682

IUPAC1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide
SMILESCOCCC(C)NS(=O)(=O)CC#N
InChIInChI=1S/C7H14N2O3S/c1-7(3-5-12-2)9-13(10,11)6-4-8/h7,9H,3,5-6H2,1-2H3
InChIKeyWMMPIJPZXYGRFE-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.15
Rot. Bonds6

About 1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide

1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide (PubChem CID 64605682) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide
PubChem CID64605682
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide
SMILESCOCCC(C)NS(=O)(=O)CC#N
InChIInChI=1S/C7H14N2O3S/c1-7(3-5-12-2)9-13(10,11)6-4-8/h7,9H,3,5-6H2,1-2H3
InChIKeyWMMPIJPZXYGRFE-UHFFFAOYSA-N
XLogP-0.15
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide (CID 64605682) is 1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide is COCCC(C)NS(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide?
The InChIKey is WMMPIJPZXYGRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-7(3-5-12-2)9-13(10,11)6-4-8/h7,9H,3,5-6H2,1-2H3.
What are the key properties of 1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide?
1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide has a molecular weight of 206.27 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methoxybutan-2-yl)methanesulfonamide is sourced from PubChem (CID 64605682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).