2-methylpentyl thiomorpholine-3-carboxylate

C11H21NO2S — CID 103284300

IUPAC2-methylpentyl thiomorpholine-3-carboxylate
SMILESCCCC(C)COC(=O)C1CSCCN1
InChIInChI=1S/C11H21NO2S/c1-3-4-9(2)7-14-11(13)10-8-15-6-5-12-10/h9-10,12H,3-8H2,1-2H3
InChIKeyWCXPQZQCXRZPPT-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.67
Rot. Bonds5

About 2-methylpentyl thiomorpholine-3-carboxylate

2-methylpentyl thiomorpholine-3-carboxylate (PubChem CID 103284300) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-methylpentyl thiomorpholine-3-carboxylate.

Molecular Properties

Compound Name2-methylpentyl thiomorpholine-3-carboxylate
PubChem CID103284300
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-methylpentyl thiomorpholine-3-carboxylate
SMILESCCCC(C)COC(=O)C1CSCCN1
InChIInChI=1S/C11H21NO2S/c1-3-4-9(2)7-14-11(13)10-8-15-6-5-12-10/h9-10,12H,3-8H2,1-2H3
InChIKeyWCXPQZQCXRZPPT-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
2-ethoxyethyl thiomorpholine-3-carboxylate
CID 82904613
2-methylpentyl 3-methylpyrrolidine-2-carboxylate
CID 103284116
2-methylpentyl 2-methylpiperidine-4-carboxylate
CID 106743825
cyclopentylmethyl thiomorpholine-3-carboxylate
CID 82905179
2-methylpentyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 103284237
N-(4-hydroxy-1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 106161015
N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82906208
N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 82917888
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572
(3R)-thiomorpholine-3-carboxamide
CID 41097978
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl thiomorpholine-3-carboxylate?
The IUPAC name of 2-methylpentyl thiomorpholine-3-carboxylate (CID 103284300) is 2-methylpentyl thiomorpholine-3-carboxylate.
What is the SMILES notation for 2-methylpentyl thiomorpholine-3-carboxylate?
The canonical SMILES for 2-methylpentyl thiomorpholine-3-carboxylate is CCCC(C)COC(=O)C1CSCCN1.
What is the InChIKey of 2-methylpentyl thiomorpholine-3-carboxylate?
The InChIKey is WCXPQZQCXRZPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-4-9(2)7-14-11(13)10-8-15-6-5-12-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-methylpentyl thiomorpholine-3-carboxylate?
2-methylpentyl thiomorpholine-3-carboxylate has a molecular weight of 231.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl thiomorpholine-3-carboxylate is sourced from PubChem (CID 103284300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).