(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine

C9H12BrNS — CID 95457413

IUPAC(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
SMILESN[C@H](c1cc(Br)cs1)C1CCC1
InChIInChI=1S/C9H12BrNS/c10-7-4-8(12-5-7)9(11)6-2-1-3-6/h4-6,9H,1-3,11H2/t9-/m0/s1
InChIKeyPPAXLOQIXNHJRB-VIFPVBQESA-N
MW246.17 g/mol
LogP3.31
Rot. Bonds2

About (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine

(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine (PubChem CID 95457413) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
PubChem CID95457413
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
SMILESN[C@H](c1cc(Br)cs1)C1CCC1
InChIInChI=1S/C9H12BrNS/c10-7-4-8(12-5-7)9(11)6-2-1-3-6/h4-6,9H,1-3,11H2/t9-/m0/s1
InChIKeyPPAXLOQIXNHJRB-VIFPVBQESA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine 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

(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine
CID 82307070
(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine
CID 131000476
cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
cyclopentyl-(4-methoxythiophen-2-yl)methanamine
CID 115779094
(R)-(4-chlorothiophen-2-yl)-cyclopropylmethanamine
CID 130664775
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
(4-bromothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914594
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
(4-bromothiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79914498
(5-bromothiophen-3-yl)-cyclohexylmethanamine
CID 105079738

Frequently Asked Questions

What is the IUPAC name of (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine?
The IUPAC name of (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine (CID 95457413) is (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine.
What is the SMILES notation for (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine?
The canonical SMILES for (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine is N[C@H](c1cc(Br)cs1)C1CCC1.
What is the InChIKey of (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine?
The InChIKey is PPAXLOQIXNHJRB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12BrNS/c10-7-4-8(12-5-7)9(11)6-2-1-3-6/h4-6,9H,1-3,11H2/t9-/m0/s1.
What are the key properties of (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine?
(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine has a molecular weight of 246.17 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine is sourced from PubChem (CID 95457413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).