1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine

C13H14ClNS — CID 117181466

IUPAC1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine
SMILESClc1cccc2c(CN3CCCC3)csc12
InChIInChI=1S/C13H14ClNS/c14-12-5-3-4-11-10(9-16-13(11)12)8-15-6-1-2-7-15/h3-5,9H,1-2,6-8H2
InChIKeyGKQVGPIAMFCRHR-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.15
Rot. Bonds2

About 1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine

1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine (PubChem CID 117181466) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine
PubChem CID117181466
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine
SMILESClc1cccc2c(CN3CCCC3)csc12
InChIInChI=1S/C13H14ClNS/c14-12-5-3-4-11-10(9-16-13(11)12)8-15-6-1-2-7-15/h3-5,9H,1-2,6-8H2
InChIKeyGKQVGPIAMFCRHR-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155978335
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117181451
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine
CID 117185593
1-[(6-bromo-1-benzothiophen-3-yl)methyl]pyrrolidine
CID 117178039
2-[4-(1-benzothiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63738856
1-[(5-methyl-1-benzothiophen-3-yl)methyl]azepane
CID 117185053
7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole
CID 82501403
N-[[2-(azetidin-1-ylmethyl)-6-chlorophenyl]methylidene]hydroxylamine
CID 154024589

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine (CID 117181466) is 1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine is Clc1cccc2c(CN3CCCC3)csc12.
What is the InChIKey of 1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine?
The InChIKey is GKQVGPIAMFCRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c14-12-5-3-4-11-10(9-16-13(11)12)8-15-6-1-2-7-15/h3-5,9H,1-2,6-8H2.
What are the key properties of 1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine?
1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine has a molecular weight of 251.78 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloro-1-benzothiophen-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 117181466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).