2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid

C14H24N2O3S — CID 66420191

IUPAC2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid
SMILESCC1(CNC(=O)N2CCSCC2CC(=O)O)CCCC1
InChIInChI=1S/C14H24N2O3S/c1-14(4-2-3-5-14)10-15-13(19)16-6-7-20-9-11(16)8-12(17)18/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyCBLWNPHESWZPGP-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.17
Rot. Bonds4

About 2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid

2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66420191) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid
PubChem CID66420191
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid
SMILESCC1(CNC(=O)N2CCSCC2CC(=O)O)CCCC1
InChIInChI=1S/C14H24N2O3S/c1-14(4-2-3-5-14)10-15-13(19)16-6-7-20-9-11(16)8-12(17)18/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyCBLWNPHESWZPGP-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid (CID 66420191) is 2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid is CC1(CNC(=O)N2CCSCC2CC(=O)O)CCCC1.
What is the InChIKey of 2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is CBLWNPHESWZPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-14(4-2-3-5-14)10-15-13(19)16-6-7-20-9-11(16)8-12(17)18/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid?
2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 300.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66420191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).