N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine

C16H22N2OS — CID 82753721

IUPACN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)Cc1c(CN)sc2ccccc12
InChIInChI=1S/C16H22N2OS/c1-11-14(7-8-19-11)18(2)10-13-12-5-3-4-6-15(12)20-16(13)9-17/h3-6,11,14H,7-10,17H2,1-2H3
InChIKeyCDTZHZYFNSRYEA-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.97
Rot. Bonds4

About N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine

N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82753721) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine
PubChem CID82753721
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)Cc1c(CN)sc2ccccc12
InChIInChI=1S/C16H22N2OS/c1-11-14(7-8-19-11)18(2)10-13-12-5-3-4-6-15(12)20-16(13)9-17/h3-6,11,14H,7-10,17H2,1-2H3
InChIKeyCDTZHZYFNSRYEA-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine with MolForge

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Related Compounds

N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methylpentan-3-amine
CID 62433366
1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62434463
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79490617
[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62974110
N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
CID 82733792
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethylbutan-1-amine
CID 62424421
[3-(oxan-4-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62485117
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987779
[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 114597100
2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82737840
[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62412418
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62418991

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine (CID 82753721) is N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)Cc1c(CN)sc2ccccc12.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is CDTZHZYFNSRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-14(7-8-19-11)18(2)10-13-12-5-3-4-6-15(12)20-16(13)9-17/h3-6,11,14H,7-10,17H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine?
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 290.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82753721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).