1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol

C11H16BrNOS — CID 66039885

IUPAC1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCC(O)(CNC1CC1)Cc1sccc1Br
InChIInChI=1S/C11H16BrNOS/c1-11(14,7-13-8-2-3-8)6-10-9(12)4-5-15-10/h4-5,8,13-14H,2-3,6-7H2,1H3
InChIKeyFMFSFUHVHPJFTD-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.56
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol

1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol (PubChem CID 66039885) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
PubChem CID66039885
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCC(O)(CNC1CC1)Cc1sccc1Br
InChIInChI=1S/C11H16BrNOS/c1-11(14,7-13-8-2-3-8)6-10-9(12)4-5-15-10/h4-5,8,13-14H,2-3,6-7H2,1H3
InChIKeyFMFSFUHVHPJFTD-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol (CID 66039885) is 1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol is CC(O)(CNC1CC1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The InChIKey is FMFSFUHVHPJFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-11(14,7-13-8-2-3-8)6-10-9(12)4-5-15-10/h4-5,8,13-14H,2-3,6-7H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol?
1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol has a molecular weight of 290.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66039885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).