(S)-(3-bromophenyl)-thiophen-3-ylmethanamine

C11H10BrNS — CID 171199224

IUPAC(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cccc(Br)c1
InChIInChI=1S/C11H10BrNS/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9/h1-7,11H,13H2/t11-/m0/s1
InChIKeyLAQZZZTWQJQCRB-NSHDSACASA-N
MW268.18 g/mol
LogP3.56
Rot. Bonds2

About (S)-(3-bromophenyl)-thiophen-3-ylmethanamine

(S)-(3-bromophenyl)-thiophen-3-ylmethanamine (PubChem CID 171199224) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is (S)-(3-bromophenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
PubChem CID171199224
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cccc(Br)c1
InChIInChI=1S/C11H10BrNS/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9/h1-7,11H,13H2/t11-/m0/s1
InChIKeyLAQZZZTWQJQCRB-NSHDSACASA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218747
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158
(R)-(5-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218200
(S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine
CID 171203449
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884
4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
CID 171200005
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromophenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (S)-(3-bromophenyl)-thiophen-3-ylmethanamine (CID 171199224) is (S)-(3-bromophenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-(3-bromophenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-(3-bromophenyl)-thiophen-3-ylmethanamine is N[C@H](c1ccsc1)c1cccc(Br)c1.
What is the InChIKey of (S)-(3-bromophenyl)-thiophen-3-ylmethanamine?
The InChIKey is LAQZZZTWQJQCRB-NSHDSACASA-N. The full InChI is InChI=1S/C11H10BrNS/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9/h1-7,11H,13H2/t11-/m0/s1.
What are the key properties of (S)-(3-bromophenyl)-thiophen-3-ylmethanamine?
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine has a molecular weight of 268.18 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromophenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171199224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).