N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C14H21NS — CID 115892167

IUPACN-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCCC1CC1NC1CCCc2sccc21
InChIInChI=1S/C14H21NS/c1-2-4-10-9-13(10)15-12-5-3-6-14-11(12)7-8-16-14/h7-8,10,12-13,15H,2-6,9H2,1H3
InChIKeyKARIKHBVMXNGIC-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.90
Rot. Bonds4

About N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 115892167) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID115892167
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCCC1CC1NC1CCCc2sccc21
InChIInChI=1S/C14H21NS/c1-2-4-10-9-13(10)15-12-5-3-6-14-11(12)7-8-16-14/h7-8,10,12-13,15H,2-6,9H2,1H3
InChIKeyKARIKHBVMXNGIC-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 115892167) is N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CCCC1CC1NC1CCCc2sccc21.
What is the InChIKey of N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is KARIKHBVMXNGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-4-10-9-13(10)15-12-5-3-6-14-11(12)7-8-16-14/h7-8,10,12-13,15H,2-6,9H2,1H3.
What are the key properties of N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 235.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 115892167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).