[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol

C15H29NOS — CID 102746571

IUPAC[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol
SMILESCC1(C)CN(CC2(CS)CCCC2)CC(C)(C)O1
InChIInChI=1S/C15H29NOS/c1-13(2)9-16(10-14(3,4)17-13)11-15(12-18)7-5-6-8-15/h18H,5-12H2,1-4H3
InChIKeyKXEGLOLKTREARF-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.37
Rot. Bonds3

About [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol

[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol (PubChem CID 102746571) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol
PubChem CID102746571
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol
SMILESCC1(C)CN(CC2(CS)CCCC2)CC(C)(C)O1
InChIInChI=1S/C15H29NOS/c1-13(2)9-16(10-14(3,4)17-13)11-15(12-18)7-5-6-8-15/h18H,5-12H2,1-4H3
InChIKeyKXEGLOLKTREARF-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol
CID 130548652
2-[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
CID 102743971
[1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]cyclohexyl]methanamine
CID 102744422
4-methyl-1-[[1-(sulfanylmethyl)cyclopentyl]methyl]azepan-4-ol
CID 107408990
[1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclobutyl]methanethiol
CID 104961708
1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidine-3,4-diol
CID 106674387
2-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentan-1-amine
CID 102744303
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanethiol
CID 115562971
[1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol
CID 104550772
1-[1-[[1-(sulfanylmethyl)cycloheptyl]methyl]piperidin-4-yl]ethanol
CID 106839754
[1-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]cyclohexyl]methanethiol
CID 114083834
[1-(1-ethylcyclopentyl)cyclopentyl]methanethiol
CID 91072791

Frequently Asked Questions

What is the IUPAC name of [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol?
The IUPAC name of [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol (CID 102746571) is [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol.
What is the SMILES notation for [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol?
The canonical SMILES for [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol is CC1(C)CN(CC2(CS)CCCC2)CC(C)(C)O1.
What is the InChIKey of [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol?
The InChIKey is KXEGLOLKTREARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-13(2)9-16(10-14(3,4)17-13)11-15(12-18)7-5-6-8-15/h18H,5-12H2,1-4H3.
What are the key properties of [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol?
[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol has a molecular weight of 271.47 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol is sourced from PubChem (CID 102746571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).