N-[2-(methylamino)ethyl]piperazine-1-sulfonamide

C7H18N4O2S — CID 117126296

IUPACN-[2-(methylamino)ethyl]piperazine-1-sulfonamide
SMILESCNCCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H18N4O2S/c1-8-2-3-10-14(12,13)11-6-4-9-5-7-11/h8-10H,2-7H2,1H3
InChIKeyYUXBKIKCCCCSSE-UHFFFAOYSA-N
MW222.31 g/mol
LogP-2.05
Rot. Bonds5

About N-[2-(methylamino)ethyl]piperazine-1-sulfonamide

N-[2-(methylamino)ethyl]piperazine-1-sulfonamide (PubChem CID 117126296) has the molecular formula C7H18N4O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]piperazine-1-sulfonamide
PubChem CID117126296
Molecular FormulaC7H18N4O2S
Molecular Weight222.31 g/mol
Exact Mass222.12
IUPAC NameN-[2-(methylamino)ethyl]piperazine-1-sulfonamide
SMILESCNCCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H18N4O2S/c1-8-2-3-10-14(12,13)11-6-4-9-5-7-11/h8-10H,2-7H2,1H3
InChIKeyYUXBKIKCCCCSSE-UHFFFAOYSA-N
XLogP-2.05
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-(2-methylsulfanylethyl)piperazine-1-sulfonamide
CID 63958312
N-prop-2-ynylpiperazine-1-sulfonamide
CID 28775542
N-methylpiperazine-1-sulfonamide;hydrochloride
CID 86812477
N-(3-propoxypropyl)piperazine-1-sulfonamide
CID 82943293
N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192
N-(2-cyclohexylethyl)piperazine-1-sulfonamide
CID 54932858
N-[2-[2-methoxyethyl(methyl)amino]ethyl]piperazine-1-sulfonamide
CID 55126821
N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide
CID 79755749
N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide
CID 28775779
N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide
CID 61237119
4-methyl-N-(2-piperazin-1-ylethyl)piperidine-1-sulfonamide;dihydrochloride
CID 119966686

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-(methylamino)ethyl]piperazine-1-sulfonamide (CID 117126296) is N-[2-(methylamino)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-(methylamino)ethyl]piperazine-1-sulfonamide is CNCCNS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-[2-(methylamino)ethyl]piperazine-1-sulfonamide?
The InChIKey is YUXBKIKCCCCSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2S/c1-8-2-3-10-14(12,13)11-6-4-9-5-7-11/h8-10H,2-7H2,1H3.
What are the key properties of N-[2-(methylamino)ethyl]piperazine-1-sulfonamide?
N-[2-(methylamino)ethyl]piperazine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 117126296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).