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

C15H25N3O4S — CID 119210797

IUPAC2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O4S/c19-13(18-6-7-23-10-12(18)8-14(20)21)9-16-15(22)17-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,20,21)(H2,16,17,22)
InChIKeyHPFPOXVAXGNHPD-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.04
Rot. Bonds5

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

2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid (PubChem CID 119210797) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid
PubChem CID119210797
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C15H25N3O4S/c19-13(18-6-7-23-10-12(18)8-14(20)21)9-16-15(22)17-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,20,21)(H2,16,17,22)
InChIKeyHPFPOXVAXGNHPD-UHFFFAOYSA-N
XLogP1.04
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-cycloheptylacetyl)thiomorpholin-3-yl]acetic acid
CID 115909820
2-[4-(cyclohexanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66444455
2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid
CID 119210083
2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid
CID 66442999
2-[4-[(2-methylcycloheptyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66421388
2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid
CID 79291484
2-[4-[3-(cyclopropylamino)propylcarbamoyl]thiomorpholin-3-yl]acetic acid
CID 66445327
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-(2-methylpyrrolidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444343
2-[4-[(2-methylcyclohexyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443005
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid (CID 119210797) is 2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is HPFPOXVAXGNHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c19-13(18-6-7-23-10-12(18)8-14(20)21)9-16-15(22)17-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,20,21)(H2,16,17,22).
What are the key properties of 2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid?
2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 343.45 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 119210797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).