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

C16H23NS — CID 107412803

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCC2Cc3ccccc3S2)C1
InChIInChI=1S/C16H23NS/c1-12-6-7-13(8-12)10-17-11-15-9-14-4-2-3-5-16(14)18-15/h2-5,12-13,15,17H,6-11H2,1H3
InChIKeyKNNYXBRWNKZLDE-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.73
Rot. Bonds4

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

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine (PubChem CID 107412803) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine
PubChem CID107412803
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCC2Cc3ccccc3S2)C1
InChIInChI=1S/C16H23NS/c1-12-6-7-13(8-12)10-17-11-15-9-14-4-2-3-5-16(14)18-15/h2-5,12-13,15,17H,6-11H2,1H3
InChIKeyKNNYXBRWNKZLDE-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine (CID 107412803) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine is CC1CCC(CNCC2Cc3ccccc3S2)C1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
The InChIKey is KNNYXBRWNKZLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-12-6-7-13(8-12)10-17-11-15-9-14-4-2-3-5-16(14)18-15/h2-5,12-13,15,17H,6-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine has a molecular weight of 261.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107412803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).