(1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

C12H21N3OS — CID 104901643

IUPAC(1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1nc(CSC2CCCC2)no1
InChIInChI=1S/C12H21N3OS/c1-8(2)11(13)12-14-10(15-16-12)7-17-9-5-3-4-6-9/h8-9,11H,3-7,13H2,1-2H3/t11-/m1/s1
InChIKeyLNMDNJNMSDRVDP-LLVKDONJSA-N
MW255.39 g/mol
LogP2.90
Rot. Bonds5

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

(1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 104901643) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is (1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID104901643
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name(1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1nc(CSC2CCCC2)no1
InChIInChI=1S/C12H21N3OS/c1-8(2)11(13)12-14-10(15-16-12)7-17-9-5-3-4-6-9/h8-9,11H,3-7,13H2,1-2H3/t11-/m1/s1
InChIKeyLNMDNJNMSDRVDP-LLVKDONJSA-N
XLogP2.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 65144278
1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 65140758
(1R)-1-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909468
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222042
N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65140152
(1R)-2-methyl-1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104901635
(R)-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898673
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65144228
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 65144475
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 65261429
[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65141214
(1S)-1-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894670

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 104901643) is (1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is CC(C)[C@@H](N)c1nc(CSC2CCCC2)no1.
What is the InChIKey of (1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is LNMDNJNMSDRVDP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)11(13)12-14-10(15-16-12)7-17-9-5-3-4-6-9/h8-9,11H,3-7,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
(1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 104901643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).