(4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone

C13H25N3O4S — CID 66248100

IUPAC(4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)C2(C)COCC2N)CC1
InChIInChI=1S/C13H25N3O4S/c1-3-8-21(18,19)16-6-4-15(5-7-16)12(17)13(2)10-20-9-11(13)14/h11H,3-10,14H2,1-2H3
InChIKeyGXQREIHCNDQZJS-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.77
Rot. Bonds4

About (4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone

(4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 66248100) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID66248100
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)C2(C)COCC2N)CC1
InChIInChI=1S/C13H25N3O4S/c1-3-8-21(18,19)16-6-4-15(5-7-16)12(17)13(2)10-20-9-11(13)14/h11H,3-10,14H2,1-2H3
InChIKeyGXQREIHCNDQZJS-UHFFFAOYSA-N
XLogP-0.77
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3-methyloxolan-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 66263043
(4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 66264309
(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 66248492
(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66250245
(4-amino-3-methyloxolan-3-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 66263900
(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79028885
8-(4-amino-3-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 66250448
(4-amino-3-methyloxolan-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66250974
4-amino-N,3-dimethyl-N-propan-2-yloxolane-3-carboxamide
CID 66251169
1-(4-amino-3-methyloxolan-3-yl)octan-1-one
CID 116563036
3-(dimethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 110422275
2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 60963266

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 66248100) is (4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)C2(C)COCC2N)CC1.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is GXQREIHCNDQZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-3-8-21(18,19)16-6-4-15(5-7-16)12(17)13(2)10-20-9-11(13)14/h11H,3-10,14H2,1-2H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 319.43 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 66248100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).