N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide

C12H22N2O3S — CID 62049168

IUPACN-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide
SMILESCC(C)CN(CCC#N)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H22N2O3S/c1-11(2)10-14(7-3-6-13)18(15,16)12-4-8-17-9-5-12/h11-12H,3-5,7-10H2,1-2H3
InChIKeyFBTZJMPSPTZTCP-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.37
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide

N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide (PubChem CID 62049168) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide
PubChem CID62049168
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide
SMILESCC(C)CN(CCC#N)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H22N2O3S/c1-11(2)10-14(7-3-6-13)18(15,16)12-4-8-17-9-5-12/h11-12H,3-5,7-10H2,1-2H3
InChIKeyFBTZJMPSPTZTCP-UHFFFAOYSA-N
XLogP1.37
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 95253189
N-(2-cyanoethyl)-N-ethyl-1-(oxolan-3-yl)methanesulfonamide
CID 56789899
N-(2-cyanopropyl)-N-ethyloxane-4-sulfonamide
CID 55031206
N-(2-cyanopropyl)-N-ethyl-1-(oxolan-2-yl)methanesulfonamide
CID 55137240
N-(2-cyanoethyl)-3-methoxy-N-(2-methylpropyl)propane-1-sulfonamide
CID 55170764
N-(2-cyanoethyl)-2-methoxy-N-(2-methylpropyl)ethanesulfonamide
CID 55208208
N-(2-cyanoethyl)-N-ethyloxane-4-sulfonamide
CID 55209945
N-(2-cyanopropyl)-2-ethoxy-N-methylethanesulfonamide
CID 55211798
N-(2-cyanoethyl)-2-ethoxy-N-ethylethanesulfonamide
CID 55219622
N-(2-cyanopropyl)-N-ethyl-2-methoxyethanesulfonamide
CID 61609234
N-(2-cyanopropyl)-2-methoxy-N-methylethanesulfonamide
CID 61609236
N-(2-cyanoethyl)-N-methyloxane-4-sulfonamide
CID 62047719

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide (CID 62049168) is N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide is CC(C)CN(CCC#N)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide?
The InChIKey is FBTZJMPSPTZTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-11(2)10-14(7-3-6-13)18(15,16)12-4-8-17-9-5-12/h11-12H,3-5,7-10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide?
N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide is sourced from PubChem (CID 62049168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).