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

C15H27N3OS — CID 64634480

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine
SMILESCc1nnc(SC2CCCCCCCCCCC2N)o1
InChIInChI=1S/C15H27N3OS/c1-12-17-18-15(19-12)20-14-11-9-7-5-3-2-4-6-8-10-13(14)16/h13-14H,2-11,16H2,1H3
InChIKeyNCJZYVPMKGDAAS-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.08
Rot. Bonds2

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine (PubChem CID 64634480) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine
PubChem CID64634480
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine
SMILESCc1nnc(SC2CCCCCCCCCCC2N)o1
InChIInChI=1S/C15H27N3OS/c1-12-17-18-15(19-12)20-14-11-9-7-5-3-2-4-6-8-10-13(14)16/h13-14H,2-11,16H2,1H3
InChIKeyNCJZYVPMKGDAAS-UHFFFAOYSA-N
XLogP4.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine (CID 64634480) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine is Cc1nnc(SC2CCCCCCCCCCC2N)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine?
The InChIKey is NCJZYVPMKGDAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-12-17-18-15(19-12)20-14-11-9-7-5-3-2-4-6-8-10-13(14)16/h13-14H,2-11,16H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine is sourced from PubChem (CID 64634480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).