N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide

C14H27NO4S — CID 122144559

IUPACN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide
SMILESCOC1(C)CC(N(C)C(=O)C(C)CS(C)(=O)=O)C1(C)C
InChIInChI=1S/C14H27NO4S/c1-10(9-20(7,17)18)12(16)15(5)11-8-14(4,19-6)13(11,2)3/h10-11H,8-9H2,1-7H3
InChIKeyUGXFBPDRFPYFPJ-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.33
Rot. Bonds5

About N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide

N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide (PubChem CID 122144559) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide
PubChem CID122144559
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide
SMILESCOC1(C)CC(N(C)C(=O)C(C)CS(C)(=O)=O)C1(C)C
InChIInChI=1S/C14H27NO4S/c1-10(9-20(7,17)18)12(16)15(5)11-8-14(4,19-6)13(11,2)3/h10-11H,8-9H2,1-7H3
InChIKeyUGXFBPDRFPYFPJ-UHFFFAOYSA-N
XLogP1.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119817564
4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpentanamide
CID 120563945
4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119342989
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119817568
3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid
CID 119151975
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea
CID 96520297
4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide
CID 124685693
3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 166225120
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 71868282
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95934487
3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea
CID 124777906
(3R)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylpiperidine-3-carboxamide
CID 124569119

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide?
The IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide (CID 122144559) is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide is COC1(C)CC(N(C)C(=O)C(C)CS(C)(=O)=O)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide?
The InChIKey is UGXFBPDRFPYFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-10(9-20(7,17)18)12(16)15(5)11-8-14(4,19-6)13(11,2)3/h10-11H,8-9H2,1-7H3.
What are the key properties of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide?
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide has a molecular weight of 305.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 122144559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).