[1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine

C14H17NO2S — CID 117413325

IUPAC[1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine
SMILESNCC1(c2ccc3c(c2)C=CS3(=O)=O)CCCC1
InChIInChI=1S/C14H17NO2S/c15-10-14(6-1-2-7-14)12-3-4-13-11(9-12)5-8-18(13,16)17/h3-5,8-9H,1-2,6-7,10,15H2
InChIKeyPQTCRSOIFSUVLO-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.22
Rot. Bonds2

About [1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine

[1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine (PubChem CID 117413325) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is [1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine
PubChem CID117413325
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name[1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine
SMILESNCC1(c2ccc3c(c2)C=CS3(=O)=O)CCCC1
InChIInChI=1S/C14H17NO2S/c15-10-14(6-1-2-7-14)12-3-4-13-11(9-12)5-8-18(13,16)17/h3-5,8-9H,1-2,6-7,10,15H2
InChIKeyPQTCRSOIFSUVLO-UHFFFAOYSA-N
XLogP2.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-isocyanatocyclobutyl)-1-benzothiophene 1,1-dioxide
CID 117407216
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one
CID 82497597
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
CID 117431326
[1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclopentyl]methanamine
CID 117403045
[1-(1H-indol-6-yl)cyclohexyl]methanamine
CID 82618652

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine (CID 117413325) is [1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine is NCC1(c2ccc3c(c2)C=CS3(=O)=O)CCCC1.
What is the InChIKey of [1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine?
The InChIKey is PQTCRSOIFSUVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c15-10-14(6-1-2-7-14)12-3-4-13-11(9-12)5-8-18(13,16)17/h3-5,8-9H,1-2,6-7,10,15H2.
What are the key properties of [1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine?
[1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine has a molecular weight of 263.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxo-1-benzothiophen-5-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117413325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).