(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine

C10H16BrNS — CID 28833486

IUPAC(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
SMILESCC(C)[C@H](C)NCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNS/c1-7(2)8(3)12-5-10-4-9(11)6-13-10/h4,6-8,12H,5H2,1-3H3/t8-/m0/s1
InChIKeyDGYQXZZFBFZEJQ-QMMMGPOBSA-N
MW262.22 g/mol
LogP3.64
Rot. Bonds4

About (2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine

(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine (PubChem CID 28833486) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is (2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
PubChem CID28833486
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
SMILESCC(C)[C@H](C)NCc1cc(Br)cs1
InChIInChI=1S/C10H16BrNS/c1-7(2)8(3)12-5-10-4-9(11)6-13-10/h4,6-8,12H,5H2,1-3H3/t8-/m0/s1
InChIKeyDGYQXZZFBFZEJQ-QMMMGPOBSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
N-[(4-bromothiophen-2-yl)methyl]-1-chloro-4-methylpentan-3-amine
CID 106353716
N-[(4-bromothiophen-2-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271033
N-[(4-bromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223373
1-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111002485
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine
CID 62732795
N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 75525502
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
1-[(4-bromothiophen-2-yl)methylamino]-3-methylbutan-2-ol
CID 111422036
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine?
The IUPAC name of (2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine (CID 28833486) is (2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for (2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine is CC(C)[C@H](C)NCc1cc(Br)cs1.
What is the InChIKey of (2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine?
The InChIKey is DGYQXZZFBFZEJQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-7(2)8(3)12-5-10-4-9(11)6-13-10/h4,6-8,12H,5H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine?
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine has a molecular weight of 262.22 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 28833486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).