5-(1-methylcyclopropyl)-1,5-thiazocane

C10H19NS — CID 126612590

IUPAC5-(1-methylcyclopropyl)-1,5-thiazocane
SMILESCC1(N2CCCSCCC2)CC1
InChIInChI=1S/C10H19NS/c1-10(4-5-10)11-6-2-8-12-9-3-7-11/h2-9H2,1H3
InChIKeyAXHYZJAPILUBBP-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.37
Rot. Bonds1

About 5-(1-methylcyclopropyl)-1,5-thiazocane

5-(1-methylcyclopropyl)-1,5-thiazocane (PubChem CID 126612590) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-1,5-thiazocane.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-1,5-thiazocane
PubChem CID126612590
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name5-(1-methylcyclopropyl)-1,5-thiazocane
SMILESCC1(N2CCCSCCC2)CC1
InChIInChI=1S/C10H19NS/c1-10(4-5-10)11-6-2-8-12-9-3-7-11/h2-9H2,1H3
InChIKeyAXHYZJAPILUBBP-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-1,5-thiazocane?
The IUPAC name of 5-(1-methylcyclopropyl)-1,5-thiazocane (CID 126612590) is 5-(1-methylcyclopropyl)-1,5-thiazocane.
What is the SMILES notation for 5-(1-methylcyclopropyl)-1,5-thiazocane?
The canonical SMILES for 5-(1-methylcyclopropyl)-1,5-thiazocane is CC1(N2CCCSCCC2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-1,5-thiazocane?
The InChIKey is AXHYZJAPILUBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-10(4-5-10)11-6-2-8-12-9-3-7-11/h2-9H2,1H3.
What are the key properties of 5-(1-methylcyclopropyl)-1,5-thiazocane?
5-(1-methylcyclopropyl)-1,5-thiazocane has a molecular weight of 185.34 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-1,5-thiazocane is sourced from PubChem (CID 126612590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).