[1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine

C9H15N3OS — CID 82508692

IUPAC[1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine
SMILESCc1nnc(SC2(CN)CCCC2)o1
InChIInChI=1S/C9H15N3OS/c1-7-11-12-8(13-7)14-9(6-10)4-2-3-5-9/h2-6,10H2,1H3
InChIKeyCAJDCGKRKHQCKR-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.74
Rot. Bonds3

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

[1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine (PubChem CID 82508692) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine
PubChem CID82508692
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine
SMILESCc1nnc(SC2(CN)CCCC2)o1
InChIInChI=1S/C9H15N3OS/c1-7-11-12-8(13-7)14-9(6-10)4-2-3-5-9/h2-6,10H2,1H3
InChIKeyCAJDCGKRKHQCKR-UHFFFAOYSA-N
XLogP1.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine?
The IUPAC name of [1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine (CID 82508692) is [1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine is Cc1nnc(SC2(CN)CCCC2)o1.
What is the InChIKey of [1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine?
The InChIKey is CAJDCGKRKHQCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-12-8(13-7)14-9(6-10)4-2-3-5-9/h2-6,10H2,1H3.
What are the key properties of [1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine?
[1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine has a molecular weight of 213.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclopentyl]methanamine is sourced from PubChem (CID 82508692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).