cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine

C10H11Cl2NS — CID 107960915

IUPACcyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(C1=CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NS/c11-8-5-7(10(12)14-8)9(13)6-3-1-2-4-6/h3,5,9H,1-2,4,13H2
InChIKeyITNAEVPESRTCJF-UHFFFAOYSA-N
MW248.18 g/mol
LogP4.16
Rot. Bonds2

About cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine

cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine (PubChem CID 107960915) has the molecular formula C10H11Cl2NS and a molecular weight of 248.18 g/mol. Its IUPAC name is cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Namecyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine
PubChem CID107960915
Molecular FormulaC10H11Cl2NS
Molecular Weight248.18 g/mol
Exact Mass247.00
IUPAC Namecyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(C1=CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NS/c11-8-5-7(10(12)14-8)9(13)6-3-1-2-4-6/h3,5,9H,1-2,4,13H2
InChIKeyITNAEVPESRTCJF-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine
CID 107960917
(4-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methanamine
CID 55034229
cyclopropyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 5201764
(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 65307996
cyclopenten-1-yl-(2,3-difluorophenyl)methanamine
CID 62650882
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
CID 43344864
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine
CID 106826810
(5-chloro-2-methoxyphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656196
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315
1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine
CID 107968460
(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine (CID 107960915) is cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine is NC(C1=CCCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is ITNAEVPESRTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NS/c11-8-5-7(10(12)14-8)9(13)6-3-1-2-4-6/h3,5,9H,1-2,4,13H2.
What are the key properties of cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine?
cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine has a molecular weight of 248.18 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(2,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 107960915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).