N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide

C11H23N3O3S — CID 68817577

IUPACN,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide
SMILESCCC(C)C(=O)N(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-5-10(2)11(15)12(3)13-6-8-14(9-7-13)18(4,16)17/h10H,5-9H2,1-4H3
InChIKeyOHUPEJFVLGPXKY-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.02
Rot. Bonds4

About N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide

N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide (PubChem CID 68817577) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide
PubChem CID68817577
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide
SMILESCCC(C)C(=O)N(C)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-5-10(2)11(15)12(3)13-6-8-14(9-7-13)18(4,16)17/h10H,5-9H2,1-4H3
InChIKeyOHUPEJFVLGPXKY-UHFFFAOYSA-N
XLogP-0.02
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide?
The IUPAC name of N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide (CID 68817577) is N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide.
What is the SMILES notation for N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide?
The canonical SMILES for N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide is CCC(C)C(=O)N(C)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide?
The InChIKey is OHUPEJFVLGPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-5-10(2)11(15)12(3)13-6-8-14(9-7-13)18(4,16)17/h10H,5-9H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide?
N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide has a molecular weight of 277.39 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylsulfonylpiperazin-1-yl)butanamide is sourced from PubChem (CID 68817577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).