(3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone

C12H22N2OS — CID 91140368

IUPAC(3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone
SMILESCC1CC(C(=O)N2CCN(S)CC2)CC1C
InChIInChI=1S/C12H22N2OS/c1-9-7-11(8-10(9)2)12(15)13-3-5-14(16)6-4-13/h9-11,16H,3-8H2,1-2H3
InChIKeyPYLZUPFZPSBPIU-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.66
Rot. Bonds1

About (3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone

(3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone (PubChem CID 91140368) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone
PubChem CID91140368
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone
SMILESCC1CC(C(=O)N2CCN(S)CC2)CC1C
InChIInChI=1S/C12H22N2OS/c1-9-7-11(8-10(9)2)12(15)13-3-5-14(16)6-4-13/h9-11,16H,3-8H2,1-2H3
InChIKeyPYLZUPFZPSBPIU-UHFFFAOYSA-N
XLogP1.66
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375
1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one
CID 110021788
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
cyclopropyl-[4-[(3,4-dimethylcyclohexyl)amino]piperidin-1-yl]methanone
CID 64746197
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide
CID 86803052
(3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone
CID 15864838
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 62775816
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone (CID 91140368) is (3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone is CC1CC(C(=O)N2CCN(S)CC2)CC1C.
What is the InChIKey of (3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone?
The InChIKey is PYLZUPFZPSBPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-7-11(8-10(9)2)12(15)13-3-5-14(16)6-4-13/h9-11,16H,3-8H2,1-2H3.
What are the key properties of (3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone?
(3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone has a molecular weight of 242.39 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone is sourced from PubChem (CID 91140368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).