N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide

C8H19N3O2S — CID 39244966

IUPACN-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESCN(CCN1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C8H19N3O2S/c1-10(14(2,12)13)7-8-11-5-3-9-4-6-11/h9H,3-8H2,1-2H3
InChIKeyCLOGURPXVWOOAI-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.22
Rot. Bonds4

About N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide

N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 39244966) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID39244966
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESCN(CCN1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C8H19N3O2S/c1-10(14(2,12)13)7-8-11-5-3-9-4-6-11/h9H,3-8H2,1-2H3
InChIKeyCLOGURPXVWOOAI-UHFFFAOYSA-N
XLogP-1.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide (CID 39244966) is N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide is CN(CCN1CCNCC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is CLOGURPXVWOOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-10(14(2,12)13)7-8-11-5-3-9-4-6-11/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide?
N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 221.33 g/mol, XLogP of -1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 39244966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).