(1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol

C8H10BrNOS — CID 116836152

IUPAC(1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol
SMILESNC1(C(O)c2ccc(Br)s2)CC1
InChIInChI=1S/C8H10BrNOS/c9-6-2-1-5(12-6)7(11)8(10)3-4-8/h1-2,7,11H,3-4,10H2
InChIKeyKUYSLSIAUCADLL-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.04
Rot. Bonds2

About (1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol

(1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol (PubChem CID 116836152) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol
PubChem CID116836152
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name(1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol
SMILESNC1(C(O)c2ccc(Br)s2)CC1
InChIInChI=1S/C8H10BrNOS/c9-6-2-1-5(12-6)7(11)8(10)3-4-8/h1-2,7,11H,3-4,10H2
InChIKeyKUYSLSIAUCADLL-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961189
1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
CID 130146184
1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol
CID 130601456
1-[(5-bromothiophen-2-yl)-hydroxymethyl]-3-methylcyclohexane-1-carbonitrile
CID 79136557
2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid
CID 61345849
1-[(5-bromothiophen-2-yl)-hydroxymethyl]-3-ethylcyclohexane-1-carbonitrile
CID 79136828
1-adamantyl-(5-bromothiophen-2-yl)methanamine
CID 63502392
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
CID 61081920
1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
CID 83693253
(5-bromothiophen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943526
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
2-adamantyl-(5-bromothiophen-2-yl)methanol
CID 81096245

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol?
The IUPAC name of (1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol (CID 116836152) is (1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol.
What is the SMILES notation for (1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol?
The canonical SMILES for (1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol is NC1(C(O)c2ccc(Br)s2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol?
The InChIKey is KUYSLSIAUCADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c9-6-2-1-5(12-6)7(11)8(10)3-4-8/h1-2,7,11H,3-4,10H2.
What are the key properties of (1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol?
(1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol has a molecular weight of 248.14 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol is sourced from PubChem (CID 116836152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).