(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride

C11H16Br2ClNS — CID 171235188

IUPAC(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cc(Br)c(Br)s1)C1CCCCC1
InChIInChI=1S/C11H15Br2NS.ClH/c12-8-6-9(15-11(8)13)10(14)7-4-2-1-3-5-7;/h6-7,10H,1-5,14H2;1H/t10-;/m0./s1
InChIKeyJUPZMJDYSUJHMG-PPHPATTJSA-N
MW389.58 g/mol
LogP5.28
Rot. Bonds2

About (S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride

(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride (PubChem CID 171235188) has the molecular formula C11H16Br2ClNS and a molecular weight of 389.58 g/mol. Its IUPAC name is (S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
PubChem CID171235188
Molecular FormulaC11H16Br2ClNS
Molecular Weight389.58 g/mol
Exact Mass386.91
IUPAC Name(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cc(Br)c(Br)s1)C1CCCCC1
InChIInChI=1S/C11H15Br2NS.ClH/c12-8-6-9(15-11(8)13)10(14)7-4-2-1-3-5-7;/h6-7,10H,1-5,14H2;1H/t10-;/m0./s1
InChIKeyJUPZMJDYSUJHMG-PPHPATTJSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
2,3-dibromo-5-[bromo(cyclohexyl)methyl]thiophene
CID 80534412
2-cycloheptyl-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 114457744
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 130826862
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80533050
(4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
CID 114097016
1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171283722
cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine
CID 115778964

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride (CID 171235188) is (S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride is Cl.N[C@H](c1cc(Br)c(Br)s1)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride?
The InChIKey is JUPZMJDYSUJHMG-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15Br2NS.ClH/c12-8-6-9(15-11(8)13)10(14)7-4-2-1-3-5-7;/h6-7,10H,1-5,14H2;1H/t10-;/m0./s1.
What are the key properties of (S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride?
(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride has a molecular weight of 389.58 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 171235188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).