(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride

C9H9Cl2NS2 — CID 171222771

IUPAC(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1sccc1Cl
InChIInChI=1S/C9H8ClNS2.ClH/c10-7-2-4-13-9(7)8(11)6-1-3-12-5-6;/h1-5,8H,11H2;1H/t8-;/m0./s1
InChIKeyXASFOTKNZJZUCJ-QRPNPIFTSA-N
MW266.22 g/mol
LogP3.93
Rot. Bonds2

About (S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171222771) has the molecular formula C9H9Cl2NS2 and a molecular weight of 266.22 g/mol. Its IUPAC name is (S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171222771
Molecular FormulaC9H9Cl2NS2
Molecular Weight266.22 g/mol
Exact Mass264.96
IUPAC Name(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1sccc1Cl
InChIInChI=1S/C9H8ClNS2.ClH/c10-7-2-4-13-9(7)8(11)6-1-3-12-5-6;/h1-5,8H,11H2;1H/t8-;/m0./s1
InChIKeyXASFOTKNZJZUCJ-QRPNPIFTSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 104988308
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171202753
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158
(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride
CID 171217231
(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine
CID 80529738
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride (CID 171222771) is (S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccsc1)c1sccc1Cl.
What is the InChIKey of (S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is XASFOTKNZJZUCJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H8ClNS2.ClH/c10-7-2-4-13-9(7)8(11)6-1-3-12-5-6;/h1-5,8H,11H2;1H/t8-;/m0./s1.
What are the key properties of (S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 266.22 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171222771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).