2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid

C14H24N2O3S — CID 66442999

IUPAC2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid
SMILESNC1(CC(=O)N2CCSCC2CC(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O3S/c15-14(4-2-1-3-5-14)9-12(17)16-6-7-20-10-11(16)8-13(18)19/h11H,1-10,15H2,(H,18,19)
InChIKeySQELCPDZRIPGKL-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.46
Rot. Bonds4

About 2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid

2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66442999) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid
PubChem CID66442999
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid
SMILESNC1(CC(=O)N2CCSCC2CC(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O3S/c15-14(4-2-1-3-5-14)9-12(17)16-6-7-20-10-11(16)8-13(18)19/h11H,1-10,15H2,(H,18,19)
InChIKeySQELCPDZRIPGKL-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-cycloheptylacetyl)thiomorpholin-3-yl]acetic acid
CID 115909820
2-[4-(azepane-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445684
2-[4-(2-methylsulfanylacetyl)thiomorpholin-3-yl]acetic acid
CID 66443082
2-[4-(cyclohexanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66444455
2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid
CID 66420191
2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid
CID 66443584
2-(4-ethoxycarbonylthiomorpholin-3-yl)acetic acid
CID 66444292
2-[4-(3,4-dimethylpentanoyl)thiomorpholin-3-yl]acetic acid
CID 119210437
2-(4-decanoylthiomorpholin-3-yl)acetic acid
CID 66444636
2-(4-nonanoylthiomorpholin-3-yl)acetic acid
CID 66445249
2-[4-(4,4-dimethylpiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445183
2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid
CID 66443894

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid (CID 66442999) is 2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid is NC1(CC(=O)N2CCSCC2CC(=O)O)CCCCC1.
What is the InChIKey of 2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is SQELCPDZRIPGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c15-14(4-2-1-3-5-14)9-12(17)16-6-7-20-10-11(16)8-13(18)19/h11H,1-10,15H2,(H,18,19).
What are the key properties of 2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid?
2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 300.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66442999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).