N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide

C15H33N3O2S — CID 70939947

IUPACN-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCCC(C)(C)C(C)N1CCN(C)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C15H33N3O2S/c1-8-15(3,4)13(2)18-10-9-16(5)11-14(18)12-17(6)21(7,19)20/h13-14H,8-12H2,1-7H3
InChIKeyPUEVVTREAYQLPU-UHFFFAOYSA-N
MW319.52 g/mol
LogP1.32
Rot. Bonds6

About N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide

N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 70939947) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide
PubChem CID70939947
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC NameN-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCCC(C)(C)C(C)N1CCN(C)CC1CN(C)S(C)(=O)=O
InChIInChI=1S/C15H33N3O2S/c1-8-15(3,4)13(2)18-10-9-16(5)11-14(18)12-17(6)21(7,19)20/h13-14H,8-12H2,1-7H3
InChIKeyPUEVVTREAYQLPU-UHFFFAOYSA-N
XLogP1.32
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide (CID 70939947) is N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide is CCC(C)(C)C(C)N1CCN(C)CC1CN(C)S(C)(=O)=O.
What is the InChIKey of N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is PUEVVTREAYQLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-8-15(3,4)13(2)18-10-9-16(5)11-14(18)12-17(6)21(7,19)20/h13-14H,8-12H2,1-7H3.
What are the key properties of N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide?
N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 319.52 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-dimethylpentan-2-yl)-4-methylpiperazin-2-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70939947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).