N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine

C14H21NOS — CID 60743823

IUPACN-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
SMILESCOCc1ccccc1CNC1CCSCC1
InChIInChI=1S/C14H21NOS/c1-16-11-13-5-3-2-4-12(13)10-15-14-6-8-17-9-7-14/h2-5,14-15H,6-11H2,1H3
InChIKeyCWEVSMFUVXFQRZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.82
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine

N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine (PubChem CID 60743823) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
PubChem CID60743823
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
SMILESCOCc1ccccc1CNC1CCSCC1
InChIInChI=1S/C14H21NOS/c1-16-11-13-5-3-2-4-12(13)10-15-14-6-8-17-9-7-14/h2-5,14-15H,6-11H2,1H3
InChIKeyCWEVSMFUVXFQRZ-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(methoxymethyl)phenyl]methyl]thian-4-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

2-[(thian-4-ylamino)methyl]phenol
CID 115603400
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine
CID 65083589
N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122843
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945
N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine
CID 65073415
N-[[2-(methoxymethyl)phenyl]methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301779
2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252394
N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
CID 62871996
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79860027

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine (CID 60743823) is N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine is COCc1ccccc1CNC1CCSCC1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine?
The InChIKey is CWEVSMFUVXFQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-16-11-13-5-3-2-4-12(13)10-15-14-6-8-17-9-7-14/h2-5,14-15H,6-11H2,1H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine?
N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine has a molecular weight of 251.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine is sourced from PubChem (CID 60743823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).