N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide

C13H22N2O3S — CID 71876963

IUPACN-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide
SMILESN#CCCN(CC1CC1)S(=O)(=O)CC1CCCCO1
InChIInChI=1S/C13H22N2O3S/c14-7-3-8-15(10-12-5-6-12)19(16,17)11-13-4-1-2-9-18-13/h12-13H,1-6,8-11H2
InChIKeyKZQAFSZSHLZXRL-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.51
Rot. Bonds7

About N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide

N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide (PubChem CID 71876963) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide
PubChem CID71876963
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide
SMILESN#CCCN(CC1CC1)S(=O)(=O)CC1CCCCO1
InChIInChI=1S/C13H22N2O3S/c14-7-3-8-15(10-12-5-6-12)19(16,17)11-13-4-1-2-9-18-13/h12-13H,1-6,8-11H2
InChIKeyKZQAFSZSHLZXRL-UHFFFAOYSA-N
XLogP1.51
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.51
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-cyanopropyl)-N-ethyloxane-4-sulfonamide
CID 55031206
N-(2-cyanoethyl)-N-(2-methylpropyl)oxane-4-sulfonamide
CID 62049168
N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-[(2S)-oxan-2-yl]methanesulfonamide
CID 95253188
N-(cyanomethyl)-N-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]methanesulfonamide
CID 138015281

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide (CID 71876963) is N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide is N#CCCN(CC1CC1)S(=O)(=O)CC1CCCCO1.
What is the InChIKey of N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide?
The InChIKey is KZQAFSZSHLZXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c14-7-3-8-15(10-12-5-6-12)19(16,17)11-13-4-1-2-9-18-13/h12-13H,1-6,8-11H2.
What are the key properties of N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide?
N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(cyclopropylmethyl)-1-(oxan-2-yl)methanesulfonamide is sourced from PubChem (CID 71876963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).