2-morpholin-4-ylpropane-2-thiol

C7H15NOS — CID 139318537

IUPAC2-morpholin-4-ylpropane-2-thiol
SMILESCC(C)(S)N1CCOCC1
InChIInChI=1S/C7H15NOS/c1-7(2,10)8-3-5-9-6-4-8/h10H,3-6H2,1-2H3
InChIKeyBDKBEBBTQGMYEE-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.98
Rot. Bonds1

About 2-morpholin-4-ylpropane-2-thiol

2-morpholin-4-ylpropane-2-thiol (PubChem CID 139318537) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-morpholin-4-ylpropane-2-thiol.

Molecular Properties

Compound Name2-morpholin-4-ylpropane-2-thiol
PubChem CID139318537
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-morpholin-4-ylpropane-2-thiol
SMILESCC(C)(S)N1CCOCC1
InChIInChI=1S/C7H15NOS/c1-7(2,10)8-3-5-9-6-4-8/h10H,3-6H2,1-2H3
InChIKeyBDKBEBBTQGMYEE-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

CID 58998301
CID 58998301
N-methyl-2-morpholin-4-ylpropan-2-amine
CID 166844618
4-tert-butylmorpholine;2-methoxy-2-methylpropane
CID 159275308
4-[(E)-2,5,5-trimethylhex-3-en-2-yl]morpholine
CID 142918159
2-methyl-2-morpholin-4-ylpropanoate
CID 25219445
2-methyl-2-morpholin-4-ylpropanoyl iodide
CID 155067930
2-(1-oxa-9-azaspiro[5.5]undecan-9-yl)propane-2-thiol
CID 139475254
4-(2,4-dimethylpentan-2-yl)morpholine
CID 67965122
2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-yl)propane-2-thiol
CID 170139386
1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
CID 157094866
4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-amine
CID 159962975
4-(5-methyldodecan-5-yl)morpholine
CID 138551223

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylpropane-2-thiol?
The IUPAC name of 2-morpholin-4-ylpropane-2-thiol (CID 139318537) is 2-morpholin-4-ylpropane-2-thiol.
What is the SMILES notation for 2-morpholin-4-ylpropane-2-thiol?
The canonical SMILES for 2-morpholin-4-ylpropane-2-thiol is CC(C)(S)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylpropane-2-thiol?
The InChIKey is BDKBEBBTQGMYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2,10)8-3-5-9-6-4-8/h10H,3-6H2,1-2H3.
What are the key properties of 2-morpholin-4-ylpropane-2-thiol?
2-morpholin-4-ylpropane-2-thiol 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-morpholin-4-ylpropane-2-thiol is sourced from PubChem (CID 139318537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).