2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid

C12H20N2O3S — CID 82917741

IUPAC2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CSCCN2)CCCC1
InChIInChI=1S/C12H20N2O3S/c15-10(16)7-12(3-1-2-4-12)14-11(17)9-8-18-6-5-13-9/h9,13H,1-8H2,(H,14,17)(H,15,16)
InChIKeyLHCXTLGOQOGEGH-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.60
Rot. Bonds4

About 2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid

2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid (PubChem CID 82917741) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid
PubChem CID82917741
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CSCCN2)CCCC1
InChIInChI=1S/C12H20N2O3S/c15-10(16)7-12(3-1-2-4-12)14-11(17)9-8-18-6-5-13-9/h9,13H,1-8H2,(H,14,17)(H,15,16)
InChIKeyLHCXTLGOQOGEGH-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]thiomorpholine-3-carboxamide
CID 82908673
2-[1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexyl]acetic acid
CID 104914061
N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiomorpholine-3-carboxamide
CID 82908761
2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 114429129
N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide
CID 113359665
1-[(thiomorpholine-3-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 82918104
N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide
CID 114125067
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
2-[1-(thiolan-3-ylmethylcarbamoylamino)cyclohexyl]acetic acid
CID 107297576
2-[1-[(3-methylthiomorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64701330
thiomorpholine-3-carbohydrazide
CID 14045872
2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid
CID 79848470

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid (CID 82917741) is 2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)C2CSCCN2)CCCC1.
What is the InChIKey of 2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid?
The InChIKey is LHCXTLGOQOGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c15-10(16)7-12(3-1-2-4-12)14-11(17)9-8-18-6-5-13-9/h9,13H,1-8H2,(H,14,17)(H,15,16).
What are the key properties of 2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid?
2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid has a molecular weight of 272.37 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 82917741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).