cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone

C12H20N2OS — CID 126853096

IUPACcyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C12H20N2OS/c15-12(10-1-2-10)14-6-4-13(5-7-14)11-3-8-16-9-11/h10-11H,1-9H2
InChIKeyKBBDWVOHJCQEGW-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.05
Rot. Bonds2

About cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone (PubChem CID 126853096) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone
PubChem CID126853096
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Namecyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C12H20N2OS/c15-12(10-1-2-10)14-6-4-13(5-7-14)11-3-8-16-9-11/h10-11H,1-9H2
InChIKeyKBBDWVOHJCQEGW-UHFFFAOYSA-N
XLogP1.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]methanone
CID 134160460
formic acid;1-[4-[4-(thiolan-3-yl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 154920365
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
N-cyclopentyl-4-(thiolan-3-yl)-1,4-diazepane-1-carboxamide
CID 134160864
4-(thiolan-3-yl)piperazine-1-carboximidamide
CID 121201882
4-(thiolan-3-yl)piperazin-1-amine
CID 121201883
azepan-1-yl(thian-4-yl)methanone
CID 110856329
3,3-dimethyl-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]butan-1-one
CID 134160509
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
(4,6-dimethoxypyrimidin-5-yl)-[4-(thiolan-3-yl)piperazin-1-yl]methanone
CID 154750114
cyclopropyl(1,4-thiazepan-4-yl)methanone
CID 60773784
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone (CID 126853096) is cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(C2CCSC2)CC1.
What is the InChIKey of cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
The InChIKey is KBBDWVOHJCQEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c15-12(10-1-2-10)14-6-4-13(5-7-14)11-3-8-16-9-11/h10-11H,1-9H2.
What are the key properties of cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone has a molecular weight of 240.37 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(thiolan-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126853096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).