N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

C10H18N2O3S — CID 55219930

IUPACN-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(CC#N)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H18N2O3S/c1-2-9(5-6-11)12-16(13,14)8-10-4-3-7-15-10/h9-10,12H,2-5,7-8H2,1H3
InChIKeyMTFKANPGYBUXMJ-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.78
Rot. Bonds6

About N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55219930) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55219930
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(CC#N)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H18N2O3S/c1-2-9(5-6-11)12-16(13,14)8-10-4-3-7-15-10/h9-10,12H,2-5,7-8H2,1H3
InChIKeyMTFKANPGYBUXMJ-UHFFFAOYSA-N
XLogP0.78
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide
CID 115650528
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 79011082
3-(oxolan-2-ylmethylsulfonylamino)butanethioamide
CID 63246950
1-[(2S)-oxolan-2-yl]-N-[(2R)-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 99827262
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63261000
(2R)-2-ethyloxolane
CID 641529
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
3-methoxy-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 81076359

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 55219930) is N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is CCC(CC#N)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is MTFKANPGYBUXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-9(5-6-11)12-16(13,14)8-10-4-3-7-15-10/h9-10,12H,2-5,7-8H2,1H3.
What are the key properties of N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55219930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).