cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane

C12H24N2OS — CID 167284371

IUPACcyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane
SMILES[H]N=S(=O)(CC1CCN(C(C)C)CC1)C1CC1
InChIInChI=1S/C12H24N2OS/c1-10(2)14-7-5-11(6-8-14)9-16(13,15)12-3-4-12/h10-13H,3-9H2,1-2H3
InChIKeyUSBQGTXNNCSOLS-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.32
Rot. Bonds4

About cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane

cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane (PubChem CID 167284371) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane.

Molecular Properties

Compound Namecyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane
PubChem CID167284371
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Namecyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane
SMILES[H]N=S(=O)(CC1CCN(C(C)C)CC1)C1CC1
InChIInChI=1S/C12H24N2OS/c1-10(2)14-7-5-11(6-8-14)9-16(13,15)12-3-4-12/h10-13H,3-9H2,1-2H3
InChIKeyUSBQGTXNNCSOLS-UHFFFAOYSA-N
XLogP2.32
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane?
The IUPAC name of cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane (CID 167284371) is cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane.
What is the SMILES notation for cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane?
The canonical SMILES for cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane is [H]N=S(=O)(CC1CCN(C(C)C)CC1)C1CC1.
What is the InChIKey of cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane?
The InChIKey is USBQGTXNNCSOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(2)14-7-5-11(6-8-14)9-16(13,15)12-3-4-12/h10-13H,3-9H2,1-2H3.
What are the key properties of cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane?
cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane has a molecular weight of 244.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane is sourced from PubChem (CID 167284371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).