(5-methylthiophen-3-yl)methanamine

C6H9NS — CID 54013578

IUPAC(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(CN)cs1
InChIInChI=1S/C6H9NS/c1-5-2-6(3-7)4-8-5/h2,4H,3,7H2,1H3
InChIKeyKUAWAECOXKVJQP-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.52
Rot. Bonds1

About (5-methylthiophen-3-yl)methanamine

(5-methylthiophen-3-yl)methanamine (PubChem CID 54013578) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)methanamine
PubChem CID54013578
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(CN)cs1
InChIInChI=1S/C6H9NS/c1-5-2-6(3-7)4-8-5/h2,4H,3,7H2,1H3
InChIKeyKUAWAECOXKVJQP-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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Related Compounds

Thiopheneethanamine
CID 116521
Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
(2-Thienylmethyl)amine
CID 34005
1-(2-Thienyl)-1-aminoethane
CID 238233
N-Methyl-1-(thiophen-2-yl)methanamine
CID 436153
1-(Thiophen-2-yl)ethan-1-amine hydrochloride
CID 458573
3-Methylthiophene-2-carbothioamide
CID 2740365
2-Methyl-1-thiophen-2-yl-propylamine
CID 3159240
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
(5-Methylthiophen-2-yl)methanamine
CID 4313442
2-(Thiophen-2-yl)propan-2-amine
CID 45099
(3-Methylthiophen-2-yl)methanamine
CID 2798756

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)methanamine?
The IUPAC name of (5-methylthiophen-3-yl)methanamine (CID 54013578) is (5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (5-methylthiophen-3-yl)methanamine?
The canonical SMILES for (5-methylthiophen-3-yl)methanamine is Cc1cc(CN)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)methanamine?
The InChIKey is KUAWAECOXKVJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-2-6(3-7)4-8-5/h2,4H,3,7H2,1H3.
What are the key properties of (5-methylthiophen-3-yl)methanamine?
(5-methylthiophen-3-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 (5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 54013578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).