N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine

C14H23NS — CID 10421679

IUPACN,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
SMILESCCCN(CCC)C1CCc2sccc2C1
InChIInChI=1S/C14H23NS/c1-3-8-15(9-4-2)13-5-6-14-12(11-13)7-10-16-14/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyGTEKPTHVDJVUHM-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.73
Rot. Bonds5

About N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine

N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine (PubChem CID 10421679) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
PubChem CID10421679
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
SMILESCCCN(CCC)C1CCc2sccc2C1
InChIInChI=1S/C14H23NS/c1-3-8-15(9-4-2)13-5-6-14-12(11-13)7-10-16-14/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyGTEKPTHVDJVUHM-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine (CID 10421679) is N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine.
What is the SMILES notation for N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The canonical SMILES for N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine is CCCN(CCC)C1CCc2sccc2C1.
What is the InChIKey of N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The InChIKey is GTEKPTHVDJVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-8-15(9-4-2)13-5-6-14-12(11-13)7-10-16-14/h7,10,13H,3-6,8-9,11H2,1-2H3.
What are the key properties of N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine has a molecular weight of 237.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine is sourced from PubChem (CID 10421679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).