2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid

C15H26N2O3S — CID 64701697

IUPAC2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid
SMILESCC1CN(C(=O)NC2(CC(=O)O)CCCCC2)CC(C)S1
InChIInChI=1S/C15H26N2O3S/c1-11-9-17(10-12(2)21-11)14(20)16-15(8-13(18)19)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDXCLXZMJMPCHGP-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.70
Rot. Bonds3

About 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 64701697) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID64701697
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid
SMILESCC1CN(C(=O)NC2(CC(=O)O)CCCCC2)CC(C)S1
InChIInChI=1S/C15H26N2O3S/c1-11-9-17(10-12(2)21-11)14(20)16-15(8-13(18)19)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDXCLXZMJMPCHGP-UHFFFAOYSA-N
XLogP2.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2,6-dimethylmorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64700428
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 81475038
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid
CID 64700651
2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid
CID 114411790
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64700652
2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 102962682
2-[1-[(3-methylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64701330
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid (CID 64701697) is 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid is CC1CN(C(=O)NC2(CC(=O)O)CCCCC2)CC(C)S1.
What is the InChIKey of 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is DXCLXZMJMPCHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-11-9-17(10-12(2)21-11)14(20)16-15(8-13(18)19)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 314.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64701697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).