[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine

C17H23N3S — CID 62412418

IUPAC[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
SMILESNCc1sc2ccccc2c1CN1CCN(C2CC2)CC1
InChIInChI=1S/C17H23N3S/c18-11-17-15(14-3-1-2-4-16(14)21-17)12-19-7-9-20(10-8-19)13-5-6-13/h1-4,13H,5-12,18H2
InChIKeyDHAMYZITLZNTCK-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.64
Rot. Bonds4

About [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine

[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine (PubChem CID 62412418) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
PubChem CID62412418
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
SMILESNCc1sc2ccccc2c1CN1CCN(C2CC2)CC1
InChIInChI=1S/C17H23N3S/c18-11-17-15(14-3-1-2-4-16(14)21-17)12-19-7-9-20(10-8-19)13-5-6-13/h1-4,13H,5-12,18H2
InChIKeyDHAMYZITLZNTCK-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine (CID 62412418) is [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine is NCc1sc2ccccc2c1CN1CCN(C2CC2)CC1.
What is the InChIKey of [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The InChIKey is DHAMYZITLZNTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c18-11-17-15(14-3-1-2-4-16(14)21-17)12-19-7-9-20(10-8-19)13-5-6-13/h1-4,13H,5-12,18H2.
What are the key properties of [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine has a molecular weight of 301.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 62412418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).