1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid

C14H24N2O3S — CID 66422266

IUPAC1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(CC1CSCCN1)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H24N2O3S/c17-12(9-11-10-20-8-7-15-11)16-14(13(18)19)5-3-1-2-4-6-14/h11,15H,1-10H2,(H,16,17)(H,18,19)
InChIKeyAEVXNRUHYQYNTC-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.38
Rot. Bonds4

About 1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid

1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 66422266) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid
PubChem CID66422266
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(CC1CSCCN1)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H24N2O3S/c17-12(9-11-10-20-8-7-15-11)16-14(13(18)19)5-3-1-2-4-6-14/h11,15H,1-10H2,(H,16,17)(H,18,19)
InChIKeyAEVXNRUHYQYNTC-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
CID 66422291
N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422108
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796
N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940566
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119935290
N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide
CID 119938410
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119939918
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114116108
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid (CID 66422266) is 1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid is O=C(CC1CSCCN1)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is AEVXNRUHYQYNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c17-12(9-11-10-20-8-7-15-11)16-14(13(18)19)5-3-1-2-4-6-14/h11,15H,1-10H2,(H,16,17)(H,18,19).
What are the key properties of 1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid?
1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 66422266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).