N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide

C10H18N2O3S — CID 62048984

IUPACN-(2-cyanopropyl)-N-methyloxane-4-sulfonamide
SMILESCC(C#N)CN(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H18N2O3S/c1-9(7-11)8-12(2)16(13,14)10-3-5-15-6-4-10/h9-10H,3-6,8H2,1-2H3
InChIKeyQGSXCWBWLNBGNT-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.59
Rot. Bonds4

About N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide

N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide (PubChem CID 62048984) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyloxane-4-sulfonamide
PubChem CID62048984
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(2-cyanopropyl)-N-methyloxane-4-sulfonamide
SMILESCC(C#N)CN(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H18N2O3S/c1-9(7-11)8-12(2)16(13,14)10-3-5-15-6-4-10/h9-10H,3-6,8H2,1-2H3
InChIKeyQGSXCWBWLNBGNT-UHFFFAOYSA-N
XLogP0.59
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide (CID 62048984) is N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide is CC(C#N)CN(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide?
The InChIKey is QGSXCWBWLNBGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-9(7-11)8-12(2)16(13,14)10-3-5-15-6-4-10/h9-10H,3-6,8H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide?
N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 62048984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).