N-[(4-propoxyphenyl)methyl]thiolan-3-amine

C14H21NOS — CID 103701552

IUPACN-[(4-propoxyphenyl)methyl]thiolan-3-amine
SMILESCCCOc1ccc(CNC2CCSC2)cc1
InChIInChI=1S/C14H21NOS/c1-2-8-16-14-5-3-12(4-6-14)10-15-13-7-9-17-11-13/h3-6,13,15H,2,7-11H2,1H3
InChIKeyUZKNLKVQJPMQQO-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.07
Rot. Bonds6

About N-[(4-propoxyphenyl)methyl]thiolan-3-amine

N-[(4-propoxyphenyl)methyl]thiolan-3-amine (PubChem CID 103701552) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[(4-propoxyphenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(4-propoxyphenyl)methyl]thiolan-3-amine
PubChem CID103701552
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[(4-propoxyphenyl)methyl]thiolan-3-amine
SMILESCCCOc1ccc(CNC2CCSC2)cc1
InChIInChI=1S/C14H21NOS/c1-2-8-16-14-5-3-12(4-6-14)10-15-13-7-9-17-11-13/h3-6,13,15H,2,7-11H2,1H3
InChIKeyUZKNLKVQJPMQQO-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-propoxyphenyl)methyl]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

N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
CID 103779629
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
CID 103062820
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 103701377
N-[(4-phenylphenyl)methyl]thiolan-3-amine
CID 103701499
N-[(4-prop-2-enoxyphenyl)methyl]thian-4-amine
CID 115615614
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[(4-pentoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295288
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
CID 115563628

Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyphenyl)methyl]thiolan-3-amine?
The IUPAC name of N-[(4-propoxyphenyl)methyl]thiolan-3-amine (CID 103701552) is N-[(4-propoxyphenyl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(4-propoxyphenyl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(4-propoxyphenyl)methyl]thiolan-3-amine is CCCOc1ccc(CNC2CCSC2)cc1.
What is the InChIKey of N-[(4-propoxyphenyl)methyl]thiolan-3-amine?
The InChIKey is UZKNLKVQJPMQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-8-16-14-5-3-12(4-6-14)10-15-13-7-9-17-11-13/h3-6,13,15H,2,7-11H2,1H3.
What are the key properties of N-[(4-propoxyphenyl)methyl]thiolan-3-amine?
N-[(4-propoxyphenyl)methyl]thiolan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propoxyphenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 103701552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).