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

C15H25N3OS2 — CID 83192283

IUPAC4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1c1nc(CSC2CCCC2)no1
InChIInChI=1S/C15H25N3OS2/c1-2-7-16-13-9-20-8-12(13)15-17-14(18-19-15)10-21-11-5-3-4-6-11/h11-13,16H,2-10H2,1H3
InChIKeyVVBQHFIBMFZCRX-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.44
Rot. Bonds7

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

4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine (PubChem CID 83192283) has the molecular formula C15H25N3OS2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine.

Molecular Properties

Compound Name4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
PubChem CID83192283
Molecular FormulaC15H25N3OS2
Molecular Weight327.52 g/mol
Exact Mass327.14
IUPAC Name4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
SMILESCCCNC1CSCC1c1nc(CSC2CCCC2)no1
InChIInChI=1S/C15H25N3OS2/c1-2-7-16-13-9-20-8-12(13)15-17-14(18-19-15)10-21-11-5-3-4-6-11/h11-13,16H,2-10H2,1H3
InChIKeyVVBQHFIBMFZCRX-UHFFFAOYSA-N
XLogP3.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83200984
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83201243
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83200903
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylthiolan-3-amine
CID 83201545
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
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 65144329
3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 65140538
N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200662
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83201061
N-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65140557
N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65140152

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The IUPAC name of 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine (CID 83192283) is 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine.
What is the SMILES notation for 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The canonical SMILES for 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine is CCCNC1CSCC1c1nc(CSC2CCCC2)no1.
What is the InChIKey of 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
The InChIKey is VVBQHFIBMFZCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS2/c1-2-7-16-13-9-20-8-12(13)15-17-14(18-19-15)10-21-11-5-3-4-6-11/h11-13,16H,2-10H2,1H3.
What are the key properties of 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine?
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine has a molecular weight of 327.52 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine is sourced from PubChem (CID 83192283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).