[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol

C12H18BrNOS — CID 102835457

IUPAC[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol
SMILESCc1sc(CNC2(CO)CCCC2)cc1Br
InChIInChI=1S/C12H18BrNOS/c1-9-11(13)6-10(16-9)7-14-12(8-15)4-2-3-5-12/h6,14-15H,2-5,7-8H2,1H3
InChIKeyPZLGWEMZVGXTEI-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.21
Rot. Bonds4

About [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol

[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol (PubChem CID 102835457) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol
PubChem CID102835457
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol
SMILESCc1sc(CNC2(CO)CCCC2)cc1Br
InChIInChI=1S/C12H18BrNOS/c1-9-11(13)6-10(16-9)7-14-12(8-15)4-2-3-5-12/h6,14-15H,2-5,7-8H2,1H3
InChIKeyPZLGWEMZVGXTEI-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol with MolForge

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Related Compounds

2-{[1-(5-Bromothiophen-2-yl)ethyl]amino}ethan-1-ol
CID 61000307
2-(4-Bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61347386
2-(4-Bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 102843334
2-(4,5-Dibromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 102843336
1-[[(5-Bromothiophen-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 71866125
(5-Bromothiophen-2-yl)methyl-(2-hydroxyethyl)-propylazanium
CID 6938414
(2S)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724338
(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340
2-{[(5-Bromothiophen-2-yl)methyl]amino}-2-methylpropan-1-ol
CID 28725441
(2S)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28833156
(2R)-2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28833158
2-{[(4-Bromothiophen-2-yl)methyl]amino}-2-methylpropan-1-ol
CID 28972996

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol (CID 102835457) is [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol is Cc1sc(CNC2(CO)CCCC2)cc1Br.
What is the InChIKey of [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol?
The InChIKey is PZLGWEMZVGXTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-9-11(13)6-10(16-9)7-14-12(8-15)4-2-3-5-12/h6,14-15H,2-5,7-8H2,1H3.
What are the key properties of [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol?
[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol has a molecular weight of 304.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 102835457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).