1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide

C10H20N2O3S — CID 81056590

IUPAC1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C10H20N2O3S/c1-5-10(8-11)16(13,14)12(4)6-7-15-9(2)3/h9-10H,5-7H2,1-4H3
InChIKeyDGKNSZPPDLYXIN-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.98
Rot. Bonds7

About 1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide

1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide (PubChem CID 81056590) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide
PubChem CID81056590
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C10H20N2O3S/c1-5-10(8-11)16(13,14)12(4)6-7-15-9(2)3/h9-10H,5-7H2,1-4H3
InChIKeyDGKNSZPPDLYXIN-UHFFFAOYSA-N
XLogP0.98
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide (CID 81056590) is 1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)N(C)CCOC(C)C.
What is the InChIKey of 1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide?
The InChIKey is DGKNSZPPDLYXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-5-10(8-11)16(13,14)12(4)6-7-15-9(2)3/h9-10H,5-7H2,1-4H3.
What are the key properties of 1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide?
1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 81056590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).