(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol

C9H13BrN2OS — CID 131089932

IUPAC(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NCc1csc(Br)c1
InChIInChI=1S/C9H13BrN2OS/c10-9-1-6(5-14-9)2-12-7-3-11-4-8(7)13/h1,5,7-8,11-13H,2-4H2/t7-,8-/m1/s1
InChIKeyHPJNYNXFUYRWBL-HTQZYQBOSA-N
MW277.19 g/mol
LogP0.93
Rot. Bonds3

About (3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol

(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol (PubChem CID 131089932) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is (3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol
PubChem CID131089932
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NCc1csc(Br)c1
InChIInChI=1S/C9H13BrN2OS/c10-9-1-6(5-14-9)2-12-7-3-11-4-8(7)13/h1,5,7-8,11-13H,2-4H2/t7-,8-/m1/s1
InChIKeyHPJNYNXFUYRWBL-HTQZYQBOSA-N
XLogP0.93
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
CID 130941284
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
(3R,4R)-4-(furan-3-ylmethylamino)pyrrolidin-3-ol
CID 126847141
[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol
CID 111468945
N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 71885858
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine
CID 63910635
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694
2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975664
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169601
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol (CID 131089932) is (3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol is O[C@@H]1CNC[C@H]1NCc1csc(Br)c1.
What is the InChIKey of (3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol?
The InChIKey is HPJNYNXFUYRWBL-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c10-9-1-6(5-14-9)2-12-7-3-11-4-8(7)13/h1,5,7-8,11-13H,2-4H2/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol?
(3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol has a molecular weight of 277.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-3-ol is sourced from PubChem (CID 131089932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).