(S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride

C10H15BrClNOS — CID 171240660

IUPAC(S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(Br)s1)C1CCOCC1
InChIInChI=1S/C10H14BrNOS.ClH/c11-9-2-1-8(14-9)10(12)7-3-5-13-6-4-7;/h1-2,7,10H,3-6,12H2;1H/t10-;/m0./s1
InChIKeyTUCAGCJANIBLBS-PPHPATTJSA-N
MW312.66 g/mol
LogP3.36
Rot. Bonds2

About (S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride

(S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171240660) has the molecular formula C10H15BrClNOS and a molecular weight of 312.66 g/mol. Its IUPAC name is (S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
PubChem CID171240660
Molecular FormulaC10H15BrClNOS
Molecular Weight312.66 g/mol
Exact Mass310.97
IUPAC Name(S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(Br)s1)C1CCOCC1
InChIInChI=1S/C10H14BrNOS.ClH/c11-9-2-1-8(14-9)10(12)7-3-5-13-6-4-7;/h1-2,7,10H,3-6,12H2;1H/t10-;/m0./s1
InChIKeyTUCAGCJANIBLBS-PPHPATTJSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.66
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
(5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine
CID 116821436
(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 63501690
4-[amino-(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 116938801
(5-bromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915556
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717
3-[(5-bromothiophen-2-yl)-chloromethyl]oxolane
CID 61279950
2-[(R)-amino(oxan-4-yl)methyl]-3,6-dibromophenol;hydrochloride
CID 171256660
(S)-(6-bromo-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240760
(5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475544
2-[(R)-amino(oxan-4-yl)methyl]-6-bromophenol;hydrochloride
CID 171247310
(R)-(2-bromo-5-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247641

Frequently Asked Questions

What is the IUPAC name of (S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride (CID 171240660) is (S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride is Cl.N[C@H](c1ccc(Br)s1)C1CCOCC1.
What is the InChIKey of (S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is TUCAGCJANIBLBS-PPHPATTJSA-N. The full InChI is InChI=1S/C10H14BrNOS.ClH/c11-9-2-1-8(14-9)10(12)7-3-5-13-6-4-7;/h1-2,7,10H,3-6,12H2;1H/t10-;/m0./s1.
What are the key properties of (S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride?
(S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 312.66 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171240660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).