(R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride

C10H13ClN2S — CID 171212595

IUPAC(R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.Cn1cccc1[C@H](N)c1ccsc1
InChIInChI=1S/C10H12N2S.ClH/c1-12-5-2-3-9(12)10(11)8-4-6-13-7-8;/h2-7,10H,11H2,1H3;1H/t10-;/m1./s1
InChIKeyBQHHRCWEIVGAPL-HNCPQSOCSA-N
MW228.75 g/mol
LogP2.56
Rot. Bonds2

About (R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride

(R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171212595) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is (R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171212595
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name(R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.Cn1cccc1[C@H](N)c1ccsc1
InChIInChI=1S/C10H12N2S.ClH/c1-12-5-2-3-9(12)10(11)8-4-6-13-7-8;/h2-7,10H,11H2,1H3;1H/t10-;/m1./s1
InChIKeyBQHHRCWEIVGAPL-HNCPQSOCSA-N
XLogP2.56
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride (CID 171212595) is (R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride is Cl.Cn1cccc1[C@H](N)c1ccsc1.
What is the InChIKey of (R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is BQHHRCWEIVGAPL-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H12N2S.ClH/c1-12-5-2-3-9(12)10(11)8-4-6-13-7-8;/h2-7,10H,11H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride?
(R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 228.75 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1-methylpyrrol-2-yl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171212595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).