N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

C15H22N2S — CID 81296311

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCN1CCC(CNC2CSc3ccccc32)C1
InChIInChI=1S/C15H22N2S/c1-2-17-8-7-12(10-17)9-16-14-11-18-15-6-4-3-5-13(14)15/h3-6,12,14,16H,2,7-11H2,1H3
InChIKeyNRYUUKFYLGDEKJ-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.76
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81296311) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81296311
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCN1CCC(CNC2CSc3ccccc32)C1
InChIInChI=1S/C15H22N2S/c1-2-17-8-7-12(10-17)9-16-14-11-18-15-6-4-3-5-13(14)15/h3-6,12,14,16H,2,7-11H2,1H3
InChIKeyNRYUUKFYLGDEKJ-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345285
N-(thian-4-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115719938
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60856193
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 79221307
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149292
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43740209
2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
CID 60885885
trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
CID 102731045
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345629
N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
CID 81302250
6-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 60855178

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 81296311) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is CCN1CCC(CNC2CSc3ccccc32)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is NRYUUKFYLGDEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-17-8-7-12(10-17)9-16-14-11-18-15-6-4-3-5-13(14)15/h3-6,12,14,16H,2,7-11H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 262.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81296311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).