(3-methylthiophen-2-yl)methanamine

C6H9NS — CID 2798756

IUPAC(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1CN
InChIInChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
InChIKeySWZNXCABBUKIPZ-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.52
Rot. Bonds1

About (3-methylthiophen-2-yl)methanamine

(3-methylthiophen-2-yl)methanamine (PubChem CID 2798756) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)methanamine
PubChem CID2798756
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1CN
InChIInChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
InChIKeySWZNXCABBUKIPZ-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-methylthiophen-2-yl)methanamine (CID 2798756) is (3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-methylthiophen-2-yl)methanamine is Cc1ccsc1CN.
What is the InChIKey of (3-methylthiophen-2-yl)methanamine?
The InChIKey is SWZNXCABBUKIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)methanamine?
(3-methylthiophen-2-yl)methanamine has a molecular weight of 127.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 2798756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).