1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine

C15H20N2S — CID 81344999

IUPAC1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine
SMILESc1ccc2c(c1)SCC2NC1CCN(C2CC2)C1
InChIInChI=1S/C15H20N2S/c1-2-4-15-13(3-1)14(10-18-15)16-11-7-8-17(9-11)12-5-6-12/h1-4,11-12,14,16H,5-10H2
InChIKeyANXHYFGENSBKRP-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.66
Rot. Bonds3

About 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine

1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine (PubChem CID 81344999) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine
PubChem CID81344999
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine
SMILESc1ccc2c(c1)SCC2NC1CCN(C2CC2)C1
InChIInChI=1S/C15H20N2S/c1-2-4-15-13(3-1)14(10-18-15)16-11-7-8-17(9-11)12-5-6-12/h1-4,11-12,14,16H,5-10H2
InChIKeyANXHYFGENSBKRP-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine (CID 81344999) is 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine is c1ccc2c(c1)SCC2NC1CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine?
The InChIKey is ANXHYFGENSBKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-4-15-13(3-1)14(10-18-15)16-11-7-8-17(9-11)12-5-6-12/h1-4,11-12,14,16H,5-10H2.
What are the key properties of 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine?
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine has a molecular weight of 260.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 81344999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).