(1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone

C12H22N2O3S — CID 6499042

IUPAC(1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H22N2O3S/c1-2-4-13-5-7-14(8-6-13)12(15)11-3-9-18(16,17)10-11/h11H,2-10H2,1H3
InChIKeyZLNSSIBEGJHMRW-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.02
Rot. Bonds3

About (1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone

(1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 6499042) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone
PubChem CID6499042
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H22N2O3S/c1-2-4-13-5-7-14(8-6-13)12(15)11-3-9-18(16,17)10-11/h11H,2-10H2,1H3
InChIKeyZLNSSIBEGJHMRW-UHFFFAOYSA-N
XLogP-0.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Ethylsulfonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 719632
(1,1-Dioxothiolan-3-yl)-[4-(3-methylbut-2-enyl)piperazin-1-yl]methanone
CID 45799995
3-Methyl-1-[4-(propylsulfonyl)piperazin-1-yl]butan-1-one
CID 719646
3-(Piperazine-1-carbonyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16276555
3-Methanesulfonyl-1-(4-methylpiperazin-1-yl)propan-1-one hydrochloride
CID 145874339
4-Methyl-8-(3-methylbutanoyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
CID 91923749
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide
CID 7613961
3-(Piperazine-1-carbonyl)-1lambda6-thiolane-1,1-dione
CID 16227023
3-Cyclopentylsulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 51081628
3-cyclopentylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 94152274
N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide
CID 136527412
3-Methanesulfonyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 57763211

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone (CID 6499042) is (1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is ZLNSSIBEGJHMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-2-4-13-5-7-14(8-6-13)12(15)11-3-9-18(16,17)10-11/h11H,2-10H2,1H3.
What are the key properties of (1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone?
(1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 6499042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).