1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol

C11H15BrO3S2 — CID 65154190

IUPAC1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)Cc1cc(Br)cs1
InChIInChI=1S/C11H15BrO3S2/c1-17(14,15)10-3-2-4-11(10,13)6-9-5-8(12)7-16-9/h5,7,10,13H,2-4,6H2,1H3
InChIKeyNTERFGUMSXIREC-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.38
Rot. Bonds3

About 1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol

1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol (PubChem CID 65154190) has the molecular formula C11H15BrO3S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
PubChem CID65154190
Molecular FormulaC11H15BrO3S2
Molecular Weight339.28 g/mol
Exact Mass337.96
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)Cc1cc(Br)cs1
InChIInChI=1S/C11H15BrO3S2/c1-17(14,15)10-3-2-4-11(10,13)6-9-5-8(12)7-16-9/h5,7,10,13H,2-4,6H2,1H3
InChIKeyNTERFGUMSXIREC-UHFFFAOYSA-N
XLogP2.38
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65154137
1-[(3,4-dimethylphenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65050312
1-[(4-bromothiophen-2-yl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65151469
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
CID 65147574
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65153658
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934
1-[(4-bromothiophen-2-yl)methyl]-4-tert-butylcycloheptan-1-amine
CID 65089867
1-[(4-amino-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65050307
1-[(4-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexane-1-carboxylic acid
CID 63402689
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 65395743
4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene
CID 66049313
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol
CID 65394644

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol (CID 65154190) is 1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)Cc1cc(Br)cs1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is NTERFGUMSXIREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3S2/c1-17(14,15)10-3-2-4-11(10,13)6-9-5-8(12)7-16-9/h5,7,10,13H,2-4,6H2,1H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol?
1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 339.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 65154190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).