4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine

C12H22N4OS — CID 83200903

IUPAC4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1c1nc(CN(C)C)no1
InChIInChI=1S/C12H22N4OS/c1-4-5-13-10-8-18-7-9(10)12-14-11(15-17-12)6-16(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyHVTPZKUUUUGQNW-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.33
Rot. Bonds6

About 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine

4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine (PubChem CID 83200903) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine.

Molecular Properties

Compound Name4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
PubChem CID83200903
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1c1nc(CN(C)C)no1
InChIInChI=1S/C12H22N4OS/c1-4-5-13-10-8-18-7-9(10)12-14-11(15-17-12)6-16(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyHVTPZKUUUUGQNW-UHFFFAOYSA-N
XLogP1.33
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The IUPAC name of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine (CID 83200903) is 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine.
What is the SMILES notation for 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The canonical SMILES for 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine is CCCNC1CSCC1c1nc(CN(C)C)no1.
What is the InChIKey of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The InChIKey is HVTPZKUUUUGQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-5-13-10-8-18-7-9(10)12-14-11(15-17-12)6-16(2)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine has a molecular weight of 270.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine is sourced from PubChem (CID 83200903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).