N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine

C13H19NOS — CID 43738970

IUPACN-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine
SMILESCOc1c(C)ccc(NC2CCSC2)c1C
InChIInChI=1S/C13H19NOS/c1-9-4-5-12(10(2)13(9)15-3)14-11-6-7-16-8-11/h4-5,11,14H,6-8H2,1-3H3
InChIKeyNARPZZPFAGNXIC-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.23
Rot. Bonds3

About N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine

N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine (PubChem CID 43738970) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine
PubChem CID43738970
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine
SMILESCOc1c(C)ccc(NC2CCSC2)c1C
InChIInChI=1S/C13H19NOS/c1-9-4-5-12(10(2)13(9)15-3)14-11-6-7-16-8-11/h4-5,11,14H,6-8H2,1-3H3
InChIKeyNARPZZPFAGNXIC-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine?
The IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine (CID 43738970) is N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine.
What is the SMILES notation for N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine?
The canonical SMILES for N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine is COc1c(C)ccc(NC2CCSC2)c1C.
What is the InChIKey of N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine?
The InChIKey is NARPZZPFAGNXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-4-5-12(10(2)13(9)15-3)14-11-6-7-16-8-11/h4-5,11,14H,6-8H2,1-3H3.
What are the key properties of N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine?
N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine has a molecular weight of 237.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,4-dimethylphenyl)thiolan-3-amine is sourced from PubChem (CID 43738970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).