N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide

C14H27NO4S — CID 75444572

IUPACN-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide
SMILESCOC1C(C)C(NS(=O)(=O)CCC2CCCO2)C1(C)C
InChIInChI=1S/C14H27NO4S/c1-10-12(14(2,3)13(10)18-4)15-20(16,17)9-7-11-6-5-8-19-11/h10-13,15H,5-9H2,1-4H3
InChIKeyOOGFRKHNTWHHEH-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.53
Rot. Bonds6

About N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide

N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide (PubChem CID 75444572) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide
PubChem CID75444572
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC NameN-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide
SMILESCOC1C(C)C(NS(=O)(=O)CCC2CCCO2)C1(C)C
InChIInChI=1S/C14H27NO4S/c1-10-12(14(2,3)13(10)18-4)15-20(16,17)9-7-11-6-5-8-19-11/h10-13,15H,5-9H2,1-4H3
InChIKeyOOGFRKHNTWHHEH-UHFFFAOYSA-N
XLogP1.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-oxolan-2-yl]ethanesulfonyl chloride
CID 98112256
2-(oxolan-2-yl)ethanesulfonyl chloride
CID 65158435
2-(2-tert-butylsulfonylethyl)oxolane
CID 59159510
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
CID 99827324
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-(oxolan-2-yl)ethanesulfonamide
CID 71918621
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
methyl 2-[2-(oxolan-2-yl)ethylsulfonyl]benzoate
CID 167992070
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 97096482
1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine
CID 81188285
methyl 2-chloro-3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 103493490
2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
CID 65161065
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-methylethanesulfonamide
CID 102676232

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide?
The IUPAC name of N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide (CID 75444572) is N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide is COC1C(C)C(NS(=O)(=O)CCC2CCCO2)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide?
The InChIKey is OOGFRKHNTWHHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-10-12(14(2,3)13(10)18-4)15-20(16,17)9-7-11-6-5-8-19-11/h10-13,15H,5-9H2,1-4H3.
What are the key properties of N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide?
N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide has a molecular weight of 305.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-(oxolan-2-yl)ethanesulfonamide is sourced from PubChem (CID 75444572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).