1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone

C13H23NOS — CID 107024403

IUPAC1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
SMILESCCC1CCN(C(=O)CC2(CS)CC2)CC1
InChIInChI=1S/C13H23NOS/c1-2-11-3-7-14(8-4-11)12(15)9-13(10-16)5-6-13/h11,16H,2-10H2,1H3
InChIKeyWWPHNVMFDDUTJC-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.74
Rot. Bonds4

About 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone

1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone (PubChem CID 107024403) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
PubChem CID107024403
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
SMILESCCC1CCN(C(=O)CC2(CS)CC2)CC1
InChIInChI=1S/C13H23NOS/c1-2-11-3-7-14(8-4-11)12(15)9-13(10-16)5-6-13/h11,16H,2-10H2,1H3
InChIKeyWWPHNVMFDDUTJC-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methylpiperazin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107019465
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107028807
N-(4-ethylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025065
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107029391
2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone
CID 89008831
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-(2,6-dimethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107021616
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
1-(4-ethylpiperidin-1-yl)-3-methylbut-2-en-1-one
CID 130157704
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone (CID 107024403) is 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone is CCC1CCN(C(=O)CC2(CS)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
The InChIKey is WWPHNVMFDDUTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-2-11-3-7-14(8-4-11)12(15)9-13(10-16)5-6-13/h11,16H,2-10H2,1H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone has a molecular weight of 241.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone is sourced from PubChem (CID 107024403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).