(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride

C8H14BrClN2S — CID 171222508

IUPAC(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@H](N)c1ccc(Br)s1
InChIInChI=1S/C8H13BrN2S.ClH/c9-8-4-3-7(12-8)6(11)2-1-5-10;/h3-4,6H,1-2,5,10-11H2;1H/t6-;/m0./s1
InChIKeyYHGCAMVJLGGLMV-RGMNGODLSA-N
MW285.64 g/mol
LogP2.67
Rot. Bonds4

About (1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride

(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride (PubChem CID 171222508) has the molecular formula C8H14BrClN2S and a molecular weight of 285.64 g/mol. Its IUPAC name is (1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
PubChem CID171222508
Molecular FormulaC8H14BrClN2S
Molecular Weight285.64 g/mol
Exact Mass283.97
IUPAC Name(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@H](N)c1ccc(Br)s1
InChIInChI=1S/C8H13BrN2S.ClH/c9-8-4-3-7(12-8)6(11)2-1-5-10;/h3-4,6H,1-2,5,10-11H2;1H/t6-;/m0./s1
InChIKeyYHGCAMVJLGGLMV-RGMNGODLSA-N
XLogP2.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.64
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949282
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683
ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate
CID 61104183
(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
CID 171211731
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine
CID 61079625
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
CID 116939903
2-[2-amino-2-(5-bromothiophen-2-yl)ethoxy]acetamide
CID 61329171
methyl (3S)-3-amino-3-(5-bromothiophen-2-yl)propanoate
CID 29059589

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride (CID 171222508) is (1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride is Cl.NCCC[C@H](N)c1ccc(Br)s1.
What is the InChIKey of (1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride?
The InChIKey is YHGCAMVJLGGLMV-RGMNGODLSA-N. The full InChI is InChI=1S/C8H13BrN2S.ClH/c9-8-4-3-7(12-8)6(11)2-1-5-10;/h3-4,6H,1-2,5,10-11H2;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride?
(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride has a molecular weight of 285.64 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171222508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).