N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine

C12H15NS — CID 112715902

IUPACN-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1ccc2c(c1)SCC2NC1CC1
InChIInChI=1S/C12H15NS/c1-8-2-5-10-11(13-9-3-4-9)7-14-12(10)6-8/h2,5-6,9,11,13H,3-4,7H2,1H3
InChIKeyDIFYCVZWQPJBOO-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.89
Rot. Bonds2

About N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine

N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 112715902) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID112715902
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1ccc2c(c1)SCC2NC1CC1
InChIInChI=1S/C12H15NS/c1-8-2-5-10-11(13-9-3-4-9)7-14-12(10)6-8/h2,5-6,9,11,13H,3-4,7H2,1H3
InChIKeyDIFYCVZWQPJBOO-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine (CID 112715902) is N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine is Cc1ccc2c(c1)SCC2NC1CC1.
What is the InChIKey of N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is DIFYCVZWQPJBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8-2-5-10-11(13-9-3-4-9)7-14-12(10)6-8/h2,5-6,9,11,13H,3-4,7H2,1H3.
What are the key properties of N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine?
N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 205.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 112715902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).