1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride

C14H18ClNS — CID 23723146

IUPAC1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride
SMILESCc1ccc2scc(CN3CCCC3)c2c1.Cl
InChIInChI=1S/C14H17NS.ClH/c1-11-4-5-14-13(8-11)12(10-16-14)9-15-6-2-3-7-15;/h4-5,8,10H,2-3,6-7,9H2,1H3;1H
InChIKeyROCMZIFOURLQQD-UHFFFAOYSA-N
MW267.82 g/mol
LogP4.23
Rot. Bonds2

About 1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride

1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride (PubChem CID 23723146) has the molecular formula C14H18ClNS and a molecular weight of 267.82 g/mol. Its IUPAC name is 1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride
PubChem CID23723146
Molecular FormulaC14H18ClNS
Molecular Weight267.82 g/mol
Exact Mass267.08
IUPAC Name1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride
SMILESCc1ccc2scc(CN3CCCC3)c2c1.Cl
InChIInChI=1S/C14H17NS.ClH/c1-11-4-5-14-13(8-11)12(10-16-14)9-15-6-2-3-7-15;/h4-5,8,10H,2-3,6-7,9H2,1H3;1H
InChIKeyROCMZIFOURLQQD-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Benzo[b]thiophen-5-yl)-3-benzylpyrrolidine
CID 44231007
1-(1-(2-Benzo(b)thienyl)cyclohexyl)pyrrolidine
CID 192370
Thionaphthene, 2-[1-(1-pyrrolidyl)cycloheptyl]-
CID 398371
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dibutyl-amine
CID 439053
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-diethyl-amine
CID 618551
1-(1-Benzothien-3-ylmethyl)piperidine
CID 832487
1-Benzothiophen-5-ylmethylamine
CID 2795448
4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11716660
3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 54767413
3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 54767576
Ethanol, 2-(N-((benzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride
CID 202059
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-methyl-amine
CID 9972104

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride (CID 23723146) is 1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride is Cc1ccc2scc(CN3CCCC3)c2c1.Cl.
What is the InChIKey of 1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride?
The InChIKey is ROCMZIFOURLQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS.ClH/c1-11-4-5-14-13(8-11)12(10-16-14)9-15-6-2-3-7-15;/h4-5,8,10H,2-3,6-7,9H2,1H3;1H.
What are the key properties of 1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride?
1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride has a molecular weight of 267.82 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1-benzothiophen-3-yl)methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 23723146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).