N-(4-phenoxyphenyl)thiolan-3-amine

C16H17NOS — CID 43192007

IUPACN-(4-phenoxyphenyl)thiolan-3-amine
SMILESc1ccc(Oc2ccc(NC3CCSC3)cc2)cc1
InChIInChI=1S/C16H17NOS/c1-2-4-15(5-3-1)18-16-8-6-13(7-9-16)17-14-10-11-19-12-14/h1-9,14,17H,10-12H2
InChIKeyYRDXWDSLZFYYDR-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.40
Rot. Bonds4

About N-(4-phenoxyphenyl)thiolan-3-amine

N-(4-phenoxyphenyl)thiolan-3-amine (PubChem CID 43192007) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)thiolan-3-amine
PubChem CID43192007
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-(4-phenoxyphenyl)thiolan-3-amine
SMILESc1ccc(Oc2ccc(NC3CCSC3)cc2)cc1
InChIInChI=1S/C16H17NOS/c1-2-4-15(5-3-1)18-16-8-6-13(7-9-16)17-14-10-11-19-12-14/h1-9,14,17H,10-12H2
InChIKeyYRDXWDSLZFYYDR-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-phenoxyphenyl)thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(4-phenoxyphenyl)cyclobutane-1,3-diamine
CID 80559283
(3S)-N-(4-methoxyphenyl)thian-3-amine
CID 94885728
N-[4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43192848
2-[4-[[(3R)-thiolan-3-yl]amino]phenyl]acetonitrile
CID 93270558
N-(4-ethoxyphenyl)thian-4-amine
CID 43394937
N-(3-fluorophenyl)thiolan-3-amine
CID 43194212
N-[4-(trifluoromethoxy)phenyl]thian-4-amine
CID 43511277
(3S)-N-(2-iodophenyl)thiolan-3-amine
CID 93023740
4-(thian-3-ylamino)phenol
CID 62873090
(3S)-N-(4-bromo-3-methoxyphenyl)thiolan-3-amine
CID 97358692
2-chloro-5-(thiolan-3-ylamino)benzoic acid
CID 43736227
N-(3-iodo-4-methylphenyl)thiolan-3-amine
CID 43716162

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)thiolan-3-amine?
The IUPAC name of N-(4-phenoxyphenyl)thiolan-3-amine (CID 43192007) is N-(4-phenoxyphenyl)thiolan-3-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)thiolan-3-amine?
The canonical SMILES for N-(4-phenoxyphenyl)thiolan-3-amine is c1ccc(Oc2ccc(NC3CCSC3)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)thiolan-3-amine?
The InChIKey is YRDXWDSLZFYYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-4-15(5-3-1)18-16-8-6-13(7-9-16)17-14-10-11-19-12-14/h1-9,14,17H,10-12H2.
What are the key properties of N-(4-phenoxyphenyl)thiolan-3-amine?
N-(4-phenoxyphenyl)thiolan-3-amine has a molecular weight of 271.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)thiolan-3-amine is sourced from PubChem (CID 43192007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).