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

C11H23NO3S — CID 115613323

IUPACN-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(CC)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-3-10(4-2)8-12-16(13,14)9-11-6-5-7-15-11/h10-12H,3-9H2,1-2H3
InChIKeyASZHXSAJJFSKID-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.52
Rot. Bonds7

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

N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 115613323) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID115613323
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(CC)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H23NO3S/c1-3-10(4-2)8-12-16(13,14)9-11-6-5-7-15-11/h10-12H,3-9H2,1-2H3
InChIKeyASZHXSAJJFSKID-UHFFFAOYSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65037518
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide
CID 119042774
methyl 2-chloro-3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 103493490
1-cyclopropyl-N-(2-ethylbutyl)methanesulfonamide
CID 115673529
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
CID 119973445
N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
2-[2-(bromomethyl)butylsulfonylmethyl]oxolane
CID 106493743

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide (CID 115613323) is N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide is CCC(CC)CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is ASZHXSAJJFSKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-10(4-2)8-12-16(13,14)9-11-6-5-7-15-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 115613323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).