1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide

C13H26N2O3S — CID 114829987

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC(C)CS(C)=O)C1(C)C
InChIInChI=1S/C13H26N2O3S/c1-6-18-10-7-13(14,12(10,3)4)11(16)15-9(2)8-19(5)17/h9-10H,6-8,14H2,1-5H3,(H,15,16)
InChIKeyDJWSZGUVNVICOT-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.40
Rot. Bonds6

About 1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide (PubChem CID 114829987) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide
PubChem CID114829987
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC(C)CS(C)=O)C1(C)C
InChIInChI=1S/C13H26N2O3S/c1-6-18-10-7-13(14,12(10,3)4)11(16)15-9(2)8-19(5)17/h9-10H,6-8,14H2,1-5H3,(H,15,16)
InChIKeyDJWSZGUVNVICOT-UHFFFAOYSA-N
XLogP0.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
CID 107219003
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 114828983
1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114830086
1-amino-N-(1,1-dimethoxypropan-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829345
methyl 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-3-methylbutanoate
CID 114828888
1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide
CID 104979683
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 114828245
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
(2R)-2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107825130
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide (CID 114829987) is 1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NC(C)CS(C)=O)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is DJWSZGUVNVICOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-6-18-10-7-13(14,12(10,3)4)11(16)15-9(2)8-19(5)17/h9-10H,6-8,14H2,1-5H3,(H,15,16).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-(1-methylsulfinylpropan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114829987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).