4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide

C13H26N2O2S — CID 113335034

IUPAC4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1(N)CCOCC1)SC
InChIInChI=1S/C13H26N2O2S/c1-4-12(5-2,18-3)10-15-11(16)13(14)6-8-17-9-7-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyZBVCJDMXWMNGEY-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.53
Rot. Bonds6

About 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide

4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide (PubChem CID 113335034) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide
PubChem CID113335034
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1(N)CCOCC1)SC
InChIInChI=1S/C13H26N2O2S/c1-4-12(5-2,18-3)10-15-11(16)13(14)6-8-17-9-7-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyZBVCJDMXWMNGEY-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride
CID 119809809
4-amino-N-butyloxane-4-carboxamide
CID 115293500
1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide
CID 103709316
2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 115430426
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
CID 114285703
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592
4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 115295165

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide (CID 113335034) is 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide is CCC(CC)(CNC(=O)C1(N)CCOCC1)SC.
What is the InChIKey of 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide?
The InChIKey is ZBVCJDMXWMNGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-4-12(5-2,18-3)10-15-11(16)13(14)6-8-17-9-7-13/h4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide?
4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide has a molecular weight of 274.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide is sourced from PubChem (CID 113335034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).