N-methylthiophen-3-amine;hydrochloride

C5H8ClNS — CID 21218568

IUPACN-methylthiophen-3-amine;hydrochloride
SMILESCNc1ccsc1.Cl
InChIInChI=1S/C5H7NS.ClH/c1-6-5-2-3-7-4-5;/h2-4,6H,1H3;1H
InChIKeyFLMVYEYCNBKTNO-UHFFFAOYSA-N
MW149.65 g/mol
LogP2.21
Rot. Bonds1

About N-methylthiophen-3-amine;hydrochloride

N-methylthiophen-3-amine;hydrochloride (PubChem CID 21218568) has the molecular formula C5H8ClNS and a molecular weight of 149.65 g/mol. Its IUPAC name is N-methylthiophen-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methylthiophen-3-amine;hydrochloride
PubChem CID21218568
Molecular FormulaC5H8ClNS
Molecular Weight149.65 g/mol
Exact Mass149.01
IUPAC NameN-methylthiophen-3-amine;hydrochloride
SMILESCNc1ccsc1.Cl
InChIInChI=1S/C5H7NS.ClH/c1-6-5-2-3-7-4-5;/h2-4,6H,1H3;1H
InChIKeyFLMVYEYCNBKTNO-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.65
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylthiophen-3-amine;hydrochloride?
The IUPAC name of N-methylthiophen-3-amine;hydrochloride (CID 21218568) is N-methylthiophen-3-amine;hydrochloride.
What is the SMILES notation for N-methylthiophen-3-amine;hydrochloride?
The canonical SMILES for N-methylthiophen-3-amine;hydrochloride is CNc1ccsc1.Cl.
What is the InChIKey of N-methylthiophen-3-amine;hydrochloride?
The InChIKey is FLMVYEYCNBKTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.ClH/c1-6-5-2-3-7-4-5;/h2-4,6H,1H3;1H.
What are the key properties of N-methylthiophen-3-amine;hydrochloride?
N-methylthiophen-3-amine;hydrochloride has a molecular weight of 149.65 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylthiophen-3-amine;hydrochloride is sourced from PubChem (CID 21218568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).