(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol

C9H14BrNOS — CID 130708717

IUPAC(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@@H](N)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-9(2,5-12)8(11)6-3-4-7(10)13-6/h3-4,8,12H,5,11H2,1-2H3/t8-/m0/s1
InChIKeyWNBLZCJJWSYUPC-QMMMGPOBSA-N
MW264.19 g/mol
LogP2.53
Rot. Bonds3

About (3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol

(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 130708717) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID130708717
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)[C@@H](N)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-9(2,5-12)8(11)6-3-4-7(10)13-6/h3-4,8,12H,5,11H2,1-2H3/t8-/m0/s1
InChIKeyWNBLZCJJWSYUPC-QMMMGPOBSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
CID 83693253
(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246493
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 63501690
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683
2-amino-5-(5-bromothiophen-2-yl)hexan-3-ol
CID 83935038
1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
CID 130146184
3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylpropan-1-ol
CID 66115909
1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62678969

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol (CID 130708717) is (3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol is CC(C)(CO)[C@@H](N)c1ccc(Br)s1.
What is the InChIKey of (3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is WNBLZCJJWSYUPC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-9(2,5-12)8(11)6-3-4-7(10)13-6/h3-4,8,12H,5,11H2,1-2H3/t8-/m0/s1.
What are the key properties of (3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol?
(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 264.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 130708717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).