N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C13H19NS — CID 83910674

IUPACN-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCc1cc2c(s1)CCCC2NC1CC1
InChIInChI=1S/C13H19NS/c1-2-10-8-11-12(14-9-6-7-9)4-3-5-13(11)15-10/h8-9,12,14H,2-7H2,1H3
InChIKeyJZLFLNFSYZGMEH-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.44
Rot. Bonds3

About N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 83910674) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID83910674
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCc1cc2c(s1)CCCC2NC1CC1
InChIInChI=1S/C13H19NS/c1-2-10-8-11-12(14-9-6-7-9)4-3-5-13(11)15-10/h8-9,12,14H,2-7H2,1H3
InChIKeyJZLFLNFSYZGMEH-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 83910674) is N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CCc1cc2c(s1)CCCC2NC1CC1.
What is the InChIKey of N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is JZLFLNFSYZGMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-10-8-11-12(14-9-6-7-9)4-3-5-13(11)15-10/h8-9,12,14H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 221.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 83910674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).