N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine

C15H21NOS — CID 79221459

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine
SMILESc1ccc2c(c1)SCC2CNCC1CCCCO1
InChIInChI=1S/C15H21NOS/c1-2-7-15-14(6-1)12(11-18-15)9-16-10-13-5-3-4-8-17-13/h1-2,6-7,12-13,16H,3-5,8-11H2
InChIKeyQOCMGSNVTLOBJL-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.03
Rot. Bonds4

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine (PubChem CID 79221459) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine
PubChem CID79221459
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine
SMILESc1ccc2c(c1)SCC2CNCC1CCCCO1
InChIInChI=1S/C15H21NOS/c1-2-7-15-14(6-1)12(11-18-15)9-16-10-13-5-3-4-8-17-13/h1-2,6-7,12-13,16H,3-5,8-11H2
InChIKeyQOCMGSNVTLOBJL-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine 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-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
CID 79220707
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262470
2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 113478802
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 115406592
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 79220623
1-(3-chlorocyclohexyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 106122919
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-1-ol
CID 79220922
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
CID 79220613
4-[(2,3-dihydro-1-benzothiophen-3-ylmethylamino)methyl]phenol
CID 114331697
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 79221623

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine (CID 79221459) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine is c1ccc2c(c1)SCC2CNCC1CCCCO1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine?
The InChIKey is QOCMGSNVTLOBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-7-15-14(6-1)12(11-18-15)9-16-10-13-5-3-4-8-17-13/h1-2,6-7,12-13,16H,3-5,8-11H2.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine has a molecular weight of 263.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 79221459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).