1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol

C12H19BrN2OS — CID 62941141

IUPAC1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol
SMILESCCC(N)C(c1cc(Br)cs1)N1CCC(O)C1
InChIInChI=1S/C12H19BrN2OS/c1-2-10(14)12(11-5-8(13)7-17-11)15-4-3-9(16)6-15/h5,7,9-10,12,16H,2-4,6,14H2,1H3
InChIKeyFYVOEPZHNOHTTI-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.36
Rot. Bonds4

About 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol

1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol (PubChem CID 62941141) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol
PubChem CID62941141
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol
SMILESCCC(N)C(c1cc(Br)cs1)N1CCC(O)C1
InChIInChI=1S/C12H19BrN2OS/c1-2-10(14)12(11-5-8(13)7-17-11)15-4-3-9(16)6-15/h5,7,9-10,12,16H,2-4,6,14H2,1H3
InChIKeyFYVOEPZHNOHTTI-UHFFFAOYSA-N
XLogP2.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-2-yl)-1-(4-methylazepan-1-yl)butan-2-amine
CID 63624050
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
CID 62941502
1-(4-bromothiophen-2-yl)-1-(3,4,5-trimethylpiperazin-1-yl)butan-2-amine
CID 114537167
1-(4-bromothiophen-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butan-2-amine
CID 104957855
1-(4-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)butan-2-amine
CID 62774399
[1-[2-amino-1-(4-bromothiophen-2-yl)butyl]azepan-2-yl]methanol
CID 116634116
[4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776331
1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol
CID 55016025
1-(4-bromothiophen-2-yl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 114489612
1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol
CID 114677962
4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-3-methylpiperazin-2-one
CID 63594551
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546211

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol (CID 62941141) is 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol is CCC(N)C(c1cc(Br)cs1)N1CCC(O)C1.
What is the InChIKey of 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol?
The InChIKey is FYVOEPZHNOHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-2-10(14)12(11-5-8(13)7-17-11)15-4-3-9(16)6-15/h5,7,9-10,12,16H,2-4,6,14H2,1H3.
What are the key properties of 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol?
1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol has a molecular weight of 319.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).