5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid

C14H26N2O3S — CID 82916760

IUPAC5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid
SMILESCC(C)C(CCNC(=O)C1CSCCN1)CCC(=O)O
InChIInChI=1S/C14H26N2O3S/c1-10(2)11(3-4-13(17)18)5-6-16-14(19)12-9-20-8-7-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDFGQXEZJBGYLSO-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.33
Rot. Bonds8

About 5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid

5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid (PubChem CID 82916760) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid
PubChem CID82916760
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid
SMILESCC(C)C(CCNC(=O)C1CSCCN1)CCC(=O)O
InChIInChI=1S/C14H26N2O3S/c1-10(2)11(3-4-13(17)18)5-6-16-14(19)12-9-20-8-7-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDFGQXEZJBGYLSO-UHFFFAOYSA-N
XLogP1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide
CID 113410105
N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide
CID 82908479
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid?
The IUPAC name of 5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid (CID 82916760) is 5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid.
What is the SMILES notation for 5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid?
The canonical SMILES for 5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid is CC(C)C(CCNC(=O)C1CSCCN1)CCC(=O)O.
What is the InChIKey of 5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid?
The InChIKey is DFGQXEZJBGYLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-10(2)11(3-4-13(17)18)5-6-16-14(19)12-9-20-8-7-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid?
5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid has a molecular weight of 302.44 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(thiomorpholine-3-carbonylamino)ethyl]hexanoic acid is sourced from PubChem (CID 82916760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).