4-(3-imidazol-1-ylpropyl)morpholine-3-thiol

C10H17N3OS — CID 173328145

IUPAC4-(3-imidazol-1-ylpropyl)morpholine-3-thiol
SMILESSC1COCCN1CCCn1ccnc1
InChIInChI=1S/C10H17N3OS/c15-10-8-14-7-6-13(10)4-1-3-12-5-2-11-9-12/h2,5,9-10,15H,1,3-4,6-8H2
InChIKeyIIDCIQBGUBXUJV-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.86
Rot. Bonds4

About 4-(3-imidazol-1-ylpropyl)morpholine-3-thiol

4-(3-imidazol-1-ylpropyl)morpholine-3-thiol (PubChem CID 173328145) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropyl)morpholine-3-thiol.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropyl)morpholine-3-thiol
PubChem CID173328145
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-(3-imidazol-1-ylpropyl)morpholine-3-thiol
SMILESSC1COCCN1CCCn1ccnc1
InChIInChI=1S/C10H17N3OS/c15-10-8-14-7-6-13(10)4-1-3-12-5-2-11-9-12/h2,5,9-10,15H,1,3-4,6-8H2
InChIKeyIIDCIQBGUBXUJV-UHFFFAOYSA-N
XLogP0.86
TPSA30.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
1-(3-imidazol-1-ylpropyl)-2-propan-2-ylpiperazine
CID 64832153
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086
N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
CID 119068889
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
[4-(3-imidazol-1-ylpropyl)-5-methylmorpholin-2-yl]methanamine
CID 81216998
1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
CID 61493051
(3aR,5R,6R,7aS)-2-(3-imidazol-1-ylpropyl)-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172655812
1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine
CID 63853813
2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 81213787
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpropyl)morpholine-3-thiol?
The IUPAC name of 4-(3-imidazol-1-ylpropyl)morpholine-3-thiol (CID 173328145) is 4-(3-imidazol-1-ylpropyl)morpholine-3-thiol.
What is the SMILES notation for 4-(3-imidazol-1-ylpropyl)morpholine-3-thiol?
The canonical SMILES for 4-(3-imidazol-1-ylpropyl)morpholine-3-thiol is SC1COCCN1CCCn1ccnc1.
What is the InChIKey of 4-(3-imidazol-1-ylpropyl)morpholine-3-thiol?
The InChIKey is IIDCIQBGUBXUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c15-10-8-14-7-6-13(10)4-1-3-12-5-2-11-9-12/h2,5,9-10,15H,1,3-4,6-8H2.
What are the key properties of 4-(3-imidazol-1-ylpropyl)morpholine-3-thiol?
4-(3-imidazol-1-ylpropyl)morpholine-3-thiol has a molecular weight of 227.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropyl)morpholine-3-thiol is sourced from PubChem (CID 173328145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).