N-(4-ethoxyphenyl)thian-4-amine

C13H19NOS — CID 43394937

IUPACN-(4-ethoxyphenyl)thian-4-amine
SMILESCCOc1ccc(NC2CCSCC2)cc1
InChIInChI=1S/C13H19NOS/c1-2-15-13-5-3-11(4-6-13)14-12-7-9-16-10-8-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyCFJNBTQXFFIHAF-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.39
Rot. Bonds4

About N-(4-ethoxyphenyl)thian-4-amine

N-(4-ethoxyphenyl)thian-4-amine (PubChem CID 43394937) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)thian-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)thian-4-amine
PubChem CID43394937
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(4-ethoxyphenyl)thian-4-amine
SMILESCCOc1ccc(NC2CCSCC2)cc1
InChIInChI=1S/C13H19NOS/c1-2-15-13-5-3-11(4-6-13)14-12-7-9-16-10-8-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyCFJNBTQXFFIHAF-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
N-[4-[2-(dimethylamino)ethoxy]phenyl]thian-4-amine
CID 54863930
2-[4-(thian-4-ylamino)phenoxy]acetamide
CID 43711231
N-(4-ethoxyphenyl)oxepan-4-amine
CID 65076928
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
ethyl 4-(thian-4-ylamino)benzoate
CID 43511385
N-[4-(trifluoromethoxy)phenyl]thian-4-amine
CID 43511277
N-[4-(2,2,2-trifluoroethoxy)phenyl]thiolan-3-amine
CID 43686705
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
N-[4-[(dimethylamino)methyl]phenyl]thian-4-amine
CID 43747361
2-(4-ethoxyanilino)cyclohexan-1-ol
CID 60883757

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)thian-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)thian-4-amine (CID 43394937) is N-(4-ethoxyphenyl)thian-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)thian-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)thian-4-amine is CCOc1ccc(NC2CCSCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)thian-4-amine?
The InChIKey is CFJNBTQXFFIHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-15-13-5-3-11(4-6-13)14-12-7-9-16-10-8-12/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)thian-4-amine?
N-(4-ethoxyphenyl)thian-4-amine has a molecular weight of 237.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)thian-4-amine is sourced from PubChem (CID 43394937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).