2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol

C10H16BrNOS — CID 79601591

IUPAC2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1cscc1Br
InChIInChI=1S/C10H16BrNOS/c1-7(2)12-6-10(3,13)8-4-14-5-9(8)11/h4-5,7,12-13H,6H2,1-3H3
InChIKeyCKGUSTQERFSKEP-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol

2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol (PubChem CID 79601591) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol
PubChem CID79601591
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1cscc1Br
InChIInChI=1S/C10H16BrNOS/c1-7(2)12-6-10(3,13)8-4-14-5-9(8)11/h4-5,7,12-13H,6H2,1-3H3
InChIKeyCKGUSTQERFSKEP-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol (CID 79601591) is 2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)c1cscc1Br.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is CKGUSTQERFSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-7(2)12-6-10(3,13)8-4-14-5-9(8)11/h4-5,7,12-13H,6H2,1-3H3.
What are the key properties of 2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol?
2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 278.21 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 79601591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).