4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide

C11H22N2O2S — CID 115763417

IUPAC4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide
SMILESCCSCC(C)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-3-16-8-9(2)13-10(14)11(12)4-6-15-7-5-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyZXFLYHSKVFJFCN-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.75
Rot. Bonds5

About 4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide

4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide (PubChem CID 115763417) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide
PubChem CID115763417
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide
SMILESCCSCC(C)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-3-16-8-9(2)13-10(14)11(12)4-6-15-7-5-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyZXFLYHSKVFJFCN-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
CID 113280840
4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide
CID 115294787
1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119327797
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
CID 64894006
4-amino-N-(1-cyclopropylethyl)oxane-4-carboxamide
CID 115293707
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
4-amino-N-propylsulfonyloxane-4-carboxamide
CID 103307647
4-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]oxane-4-carboxamide
CID 112704033
4-amino-N-(dicyclopropylmethyl)oxane-4-carboxamide
CID 115294592
4-amino-N-butyloxane-4-carboxamide
CID 115293500

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide (CID 115763417) is 4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide is CCSCC(C)NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide?
The InChIKey is ZXFLYHSKVFJFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-16-8-9(2)13-10(14)11(12)4-6-15-7-5-11/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide?
4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 115763417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).