4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one

C10H18N2O3S — CID 64987347

IUPAC4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)CC1CC1
InChIInChI=1S/C10H18N2O3S/c1-2-9-10(13)11-5-6-12(9)16(14,15)7-8-3-4-8/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyFTLIIBXCVBPQON-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.06
Rot. Bonds4

About 4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one

4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one (PubChem CID 64987347) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one
PubChem CID64987347
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)CC1CC1
InChIInChI=1S/C10H18N2O3S/c1-2-9-10(13)11-5-6-12(9)16(14,15)7-8-3-4-8/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyFTLIIBXCVBPQON-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one
CID 55216931
4-butylsulfonyl-3-ethylpiperazin-2-one
CID 63600864
4-cyclopentylsulfonyl-3-ethylpiperazin-2-one
CID 115617335
N,2-diethyl-3-oxopiperazine-1-sulfonamide
CID 115638456
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate
CID 63600686
3-ethyl-4-piperazin-1-ylsulfonylpiperazin-2-one
CID 63602552
4-(1,1-dioxothian-4-yl)sulfonyl-3-ethylpiperazin-2-one
CID 63601892
3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one
CID 80691437
4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one
CID 63601203
4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600178
4-(5-amino-2-methylphenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600786
N-(3-aminopropyl)-2-ethyl-N-methyl-3-oxopiperazine-1-sulfonamide
CID 63601240

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one (CID 64987347) is 4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)CC1CC1.
What is the InChIKey of 4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one?
The InChIKey is FTLIIBXCVBPQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-9-10(13)11-5-6-12(9)16(14,15)7-8-3-4-8/h8-9H,2-7H2,1H3,(H,11,13).
What are the key properties of 4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one?
4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one has a molecular weight of 246.33 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylsulfonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 64987347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).