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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Related Compounds

4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200418
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200497
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83201243
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83192283
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylthiolan-3-amine
CID 83201545
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83201061
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83191954
N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200662
4-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83200820
4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83192469
4-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83191941
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 79085090

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).