2-propyl-N-thiophen-3-yloxan-4-amine

C12H19NOS — CID 66352966

IUPAC2-propyl-N-thiophen-3-yloxan-4-amine
SMILESCCCC1CC(Nc2ccsc2)CCO1
InChIInChI=1S/C12H19NOS/c1-2-3-12-8-10(4-6-14-12)13-11-5-7-15-9-11/h5,7,9-10,12-13H,2-4,6,8H2,1H3
InChIKeyVGHITOBCFIRJJC-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.51
Rot. Bonds4

About 2-propyl-N-thiophen-3-yloxan-4-amine

2-propyl-N-thiophen-3-yloxan-4-amine (PubChem CID 66352966) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-propyl-N-thiophen-3-yloxan-4-amine.

Molecular Properties

Compound Name2-propyl-N-thiophen-3-yloxan-4-amine
PubChem CID66352966
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-propyl-N-thiophen-3-yloxan-4-amine
SMILESCCCC1CC(Nc2ccsc2)CCO1
InChIInChI=1S/C12H19NOS/c1-2-3-12-8-10(4-6-14-12)13-11-5-7-15-9-11/h5,7,9-10,12-13H,2-4,6,8H2,1H3
InChIKeyVGHITOBCFIRJJC-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-propyloxan-4-amine
CID 65468926
N-(3,5-dichloro-4-fluorophenyl)-2-propyloxan-4-amine
CID 107572986
N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine
CID 107619417
2-ethyl-2-methyl-N-thiophen-3-yloxan-4-amine
CID 66351892
2-methyl-N-thiophen-3-yloxolan-3-amine
CID 82719132
1-propyl-N-thiophen-3-ylpiperidin-4-amine
CID 66352075
N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 79762409
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine
CID 81352507
N-[(1S)-1-(4-bromophenyl)ethyl]-2-propyloxan-4-amine
CID 81353815
1-propyl-N-thiophen-3-ylazepan-4-amine
CID 66351874
N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine
CID 102904715
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine
CID 81397734

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-thiophen-3-yloxan-4-amine?
The IUPAC name of 2-propyl-N-thiophen-3-yloxan-4-amine (CID 66352966) is 2-propyl-N-thiophen-3-yloxan-4-amine.
What is the SMILES notation for 2-propyl-N-thiophen-3-yloxan-4-amine?
The canonical SMILES for 2-propyl-N-thiophen-3-yloxan-4-amine is CCCC1CC(Nc2ccsc2)CCO1.
What is the InChIKey of 2-propyl-N-thiophen-3-yloxan-4-amine?
The InChIKey is VGHITOBCFIRJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-3-12-8-10(4-6-14-12)13-11-5-7-15-9-11/h5,7,9-10,12-13H,2-4,6,8H2,1H3.
What are the key properties of 2-propyl-N-thiophen-3-yloxan-4-amine?
2-propyl-N-thiophen-3-yloxan-4-amine has a molecular weight of 225.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-thiophen-3-yloxan-4-amine is sourced from PubChem (CID 66352966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).