4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine

C11H17NS2 — CID 130993198

IUPAC4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine
SMILESCc1cc(CNC2CSCC2C)cs1
InChIInChI=1S/C11H17NS2/c1-8-5-13-7-11(8)12-4-10-3-9(2)14-6-10/h3,6,8,11-12H,4-5,7H2,1-2H3
InChIKeyVHLRFMDRULATLN-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.90
Rot. Bonds3

About 4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine

4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine (PubChem CID 130993198) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine
PubChem CID130993198
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine
SMILESCc1cc(CNC2CSCC2C)cs1
InChIInChI=1S/C11H17NS2/c1-8-5-13-7-11(8)12-4-10-3-9(2)14-6-10/h3,6,8,11-12H,4-5,7H2,1-2H3
InChIKeyVHLRFMDRULATLN-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Bis((thiophen-2-yl)methyl)amine
CID 252453
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
2-(Thiophen-2-yl)pyrrolidine
CID 339554
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
Methyl[1-(thiophen-2-yl)ethyl]amine
CID 458576
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine?
The IUPAC name of 4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine (CID 130993198) is 4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine?
The canonical SMILES for 4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine is Cc1cc(CNC2CSCC2C)cs1.
What is the InChIKey of 4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine?
The InChIKey is VHLRFMDRULATLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-8-5-13-7-11(8)12-4-10-3-9(2)14-6-10/h3,6,8,11-12H,4-5,7H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine?
4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine has a molecular weight of 227.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methylthiophen-3-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 130993198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).