N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine

C14H21NOS2 — CID 113493468

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine
SMILESCC(CCS(C)=O)NCC1Cc2ccccc2S1
InChIInChI=1S/C14H21NOS2/c1-11(7-8-18(2)16)15-10-13-9-12-5-3-4-6-14(12)17-13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyHEHZLLMSUVGCIB-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.45
Rot. Bonds6

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine (PubChem CID 113493468) has the molecular formula C14H21NOS2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine
PubChem CID113493468
Molecular FormulaC14H21NOS2
Molecular Weight283.46 g/mol
Exact Mass283.11
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine
SMILESCC(CCS(C)=O)NCC1Cc2ccccc2S1
InChIInChI=1S/C14H21NOS2/c1-11(7-8-18(2)16)15-10-13-9-12-5-3-4-6-14(12)17-13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyHEHZLLMSUVGCIB-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine (CID 113493468) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine is CC(CCS(C)=O)NCC1Cc2ccccc2S1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine?
The InChIKey is HEHZLLMSUVGCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS2/c1-11(7-8-18(2)16)15-10-13-9-12-5-3-4-6-14(12)17-13/h3-6,11,13,15H,7-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 2.45, 6 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-2-ylmethyl)-4-methylsulfinylbutan-2-amine is sourced from PubChem (CID 113493468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).