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

C13H25N3OS — CID 64632499

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)Sc1nnc(C)o1
InChIInChI=1S/C13H25N3OS/c1-5-8-11(14-9-6-2)12(7-3)18-13-16-15-10(4)17-13/h11-12,14H,5-9H2,1-4H3
InChIKeyCGUSFBBQRFJVPE-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.42
Rot. Bonds9

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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine (PubChem CID 64632499) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine
PubChem CID64632499
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)Sc1nnc(C)o1
InChIInChI=1S/C13H25N3OS/c1-5-8-11(14-9-6-2)12(7-3)18-13-16-15-10(4)17-13/h11-12,14H,5-9H2,1-4H3
InChIKeyCGUSFBBQRFJVPE-UHFFFAOYSA-N
XLogP3.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine
CID 64633095
N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65041152
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylheptan-4-amine
CID 64626634
N-propyl-3-propylsulfanylheptan-4-amine
CID 64615304
ethyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)butanoate
CID 63035411
3-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentan-1-ol
CID 104842263
N-ethyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65040959
N-ethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
CID 113298908
3-(2-nitrophenyl)sulfanyl-N-propylheptan-4-amine
CID 64612360
3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine
CID 64609276
N-[1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 64634278
N-[1-[3-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine
CID 62910715

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine (CID 64632499) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine is CCCNC(CCC)C(CC)Sc1nnc(C)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine?
The InChIKey is CGUSFBBQRFJVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-8-11(14-9-6-2)12(7-3)18-13-16-15-10(4)17-13/h11-12,14H,5-9H2,1-4H3.
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine has a molecular weight of 271.43 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine is sourced from PubChem (CID 64632499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).