N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide

C11H20N2O3S — CID 62048985

IUPACN-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)N(CCC#N)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H20N2O3S/c1-10(2)13(7-3-6-12)17(14,15)11-4-8-16-9-5-11/h10-11H,3-5,7-9H2,1-2H3
InChIKeyRRJRARUKYRBLKW-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.12
Rot. Bonds5

About N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide

N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide (PubChem CID 62048985) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide
PubChem CID62048985
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)N(CCC#N)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H20N2O3S/c1-10(2)13(7-3-6-12)17(14,15)11-4-8-16-9-5-11/h10-11H,3-5,7-9H2,1-2H3
InChIKeyRRJRARUKYRBLKW-UHFFFAOYSA-N
XLogP1.12
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-propan-2-yloxane-3-sulfonamide
CID 168137438
N-methyl-N-propan-2-yloxane-4-sulfonamide
CID 168137449
N,N-di(propan-2-yl)oxane-4-sulfonamide
CID 177073151
N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide
CID 55031206
2-[4-(Oxan-4-ylsulfonyl)piperazin-1-yl]propanenitrile
CID 55201964
N-(2-cyanoethyl)-2-methoxy-N-propan-2-ylethanesulfonamide
CID 55207224
N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
CID 55208605
N-(2-cyanoethyl)-N-ethyloxane-4-sulfonamide
CID 55209945
N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide
CID 55219622
1-cyano-N-methyl-N-(oxan-4-yl)methanesulfonamide
CID 61786835
2-(3-Ethylmorpholin-4-yl)sulfonylacetonitrile
CID 61786836
N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide
CID 62047719

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide (CID 62048985) is N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide is CC(C)N(CCC#N)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide?
The InChIKey is RRJRARUKYRBLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-10(2)13(7-3-6-12)17(14,15)11-4-8-16-9-5-11/h10-11H,3-5,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide?
N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-yloxane-4-sulfonamide is sourced from PubChem (CID 62048985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).