(2,6-dimethylmorpholin-4-yl)methanethiol

C7H15NOS — CID 90819554

IUPAC(2,6-dimethylmorpholin-4-yl)methanethiol
SMILESCC1CN(CS)CC(C)O1
InChIInChI=1S/C7H15NOS/c1-6-3-8(5-10)4-7(2)9-6/h6-7,10H,3-5H2,1-2H3
InChIKeyUNUBXYQAWTWRMT-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.98
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)methanethiol

(2,6-dimethylmorpholin-4-yl)methanethiol (PubChem CID 90819554) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)methanethiol.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)methanethiol
PubChem CID90819554
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(2,6-dimethylmorpholin-4-yl)methanethiol
SMILESCC1CN(CS)CC(C)O1
InChIInChI=1S/C7H15NOS/c1-6-3-8(5-10)4-7(2)9-6/h6-7,10H,3-5H2,1-2H3
InChIKeyUNUBXYQAWTWRMT-UHFFFAOYSA-N
XLogP0.98
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
[1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclobutyl]methanethiol
CID 104961708
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
CID 53215608
(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine
CID 131154609
[(2R,6S)-2,6-dimethylmorpholin-4-yl]methylhydrazine
CID 135371518
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835400
(2R,6S)-4-(2,2-dimethoxyethyl)-2,6-dimethylmorpholine
CID 104959389
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-amine
CID 104959190
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507566

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)methanethiol?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)methanethiol (CID 90819554) is (2,6-dimethylmorpholin-4-yl)methanethiol.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)methanethiol?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)methanethiol is CC1CN(CS)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)methanethiol?
The InChIKey is UNUBXYQAWTWRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6-3-8(5-10)4-7(2)9-6/h6-7,10H,3-5H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)methanethiol?
(2,6-dimethylmorpholin-4-yl)methanethiol has a molecular weight of 161.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)methanethiol is sourced from PubChem (CID 90819554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).