4-(4-butoxyphenyl)thiomorpholine

C14H21NOS — CID 69160292

IUPAC4-(4-butoxyphenyl)thiomorpholine
SMILESCCCCOc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C14H21NOS/c1-2-3-10-16-14-6-4-13(5-7-14)15-8-11-17-12-9-15/h4-7H,2-3,8-12H2,1H3
InChIKeySWDBDXHWWBOJGX-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.42
Rot. Bonds5

About 4-(4-butoxyphenyl)thiomorpholine

4-(4-butoxyphenyl)thiomorpholine (PubChem CID 69160292) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)thiomorpholine.

Molecular Properties

Compound Name4-(4-butoxyphenyl)thiomorpholine
PubChem CID69160292
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-(4-butoxyphenyl)thiomorpholine
SMILESCCCCOc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C14H21NOS/c1-2-3-10-16-14-6-4-13(5-7-14)15-8-11-17-12-9-15/h4-7H,2-3,8-12H2,1H3
InChIKeySWDBDXHWWBOJGX-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-butoxyphenyl)-[4-[4-[4-[(4-butoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene
CID 139387004
9-[4-[[4-[(4-thiomorpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenoxy]nonyl propanoate
CID 156628724
1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine
CID 158904514
4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid
CID 11058060
4-[(4-butoxyphenyl)methyl]-1,4-thiazepan-5-one
CID 143233026
2-propoxy-4-thiomorpholin-4-ylaniline
CID 63672277
1,4-dipentoxybenzene
CID 18314717
2-(4-butoxyphenyl)-5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole;N-methylmethanamine
CID 143081329
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
N'-[2-(4-butoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111049744
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)thiomorpholine?
The IUPAC name of 4-(4-butoxyphenyl)thiomorpholine (CID 69160292) is 4-(4-butoxyphenyl)thiomorpholine.
What is the SMILES notation for 4-(4-butoxyphenyl)thiomorpholine?
The canonical SMILES for 4-(4-butoxyphenyl)thiomorpholine is CCCCOc1ccc(N2CCSCC2)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)thiomorpholine?
The InChIKey is SWDBDXHWWBOJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-3-10-16-14-6-4-13(5-7-14)15-8-11-17-12-9-15/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 4-(4-butoxyphenyl)thiomorpholine?
4-(4-butoxyphenyl)thiomorpholine has a molecular weight of 251.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)thiomorpholine is sourced from PubChem (CID 69160292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).