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

C10H19N3OS — CID 64633095

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine
SMILESCCCC(N)C(CC)Sc1nnc(C)o1
InChIInChI=1S/C10H19N3OS/c1-4-6-8(11)9(5-2)15-10-13-12-7(3)14-10/h8-9H,4-6,11H2,1-3H3
InChIKeyKDZYHOBKYSTRBD-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.38
Rot. Bonds6

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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine (PubChem CID 64633095) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine
PubChem CID64633095
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine
SMILESCCCC(N)C(CC)Sc1nnc(C)o1
InChIInChI=1S/C10H19N3OS/c1-4-6-8(11)9(5-2)15-10-13-12-7(3)14-10/h8-9H,4-6,11H2,1-3H3
InChIKeyKDZYHOBKYSTRBD-UHFFFAOYSA-N
XLogP2.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine (CID 64633095) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine is CCCC(N)C(CC)Sc1nnc(C)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine?
The InChIKey is KDZYHOBKYSTRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-6-8(11)9(5-2)15-10-13-12-7(3)14-10/h8-9H,4-6,11H2,1-3H3.
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]heptan-4-amine has a molecular weight of 229.35 g/mol, XLogP of 2.38, 6 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]heptan-4-amine is sourced from PubChem (CID 64633095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).