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

C13H23N3OS — CID 65140152

IUPACN-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(CSC2CCCC2)no1
InChIInChI=1S/C13H23N3OS/c1-3-8-14-10(2)13-15-12(16-17-13)9-18-11-6-4-5-7-11/h10-11,14H,3-9H2,1-2H3
InChIKeyIKAJCNLGMKLNON-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.31
Rot. Bonds7

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

N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (PubChem CID 65140152) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
PubChem CID65140152
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nc(CSC2CCCC2)no1
InChIInChI=1S/C13H23N3OS/c1-3-8-14-10(2)13-15-12(16-17-13)9-18-11-6-4-5-7-11/h10-11,14H,3-9H2,1-2H3
InChIKeyIKAJCNLGMKLNON-UHFFFAOYSA-N
XLogP3.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 65140758
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 65144475
(1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901643
3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 65140538
N-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65140557
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65144228
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222042
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 65144278
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
N-[1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 113362298
N-[1-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 66064262
(1R)-1-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909468

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (CID 65140152) is N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nc(CSC2CCCC2)no1.
What is the InChIKey of N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is IKAJCNLGMKLNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-8-14-10(2)13-15-12(16-17-13)9-18-11-6-4-5-7-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65140152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).