N-methylpiperazine-1-sulfonamide

C5H13N3O2S — CID 28775620

IUPACN-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C5H13N3O2S/c1-6-11(9,10)8-4-2-7-3-5-8/h6-7H,2-5H2,1H3
InChIKeyHCDSYEBRPDDECJ-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.64
Rot. Bonds2

About N-methylpiperazine-1-sulfonamide

N-methylpiperazine-1-sulfonamide (PubChem CID 28775620) has the molecular formula C5H13N3O2S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-methylpiperazine-1-sulfonamide
PubChem CID28775620
Molecular FormulaC5H13N3O2S
Molecular Weight179.24 g/mol
Exact Mass179.07
IUPAC NameN-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C5H13N3O2S/c1-6-11(9,10)8-4-2-7-3-5-8/h6-7H,2-5H2,1H3
InChIKeyHCDSYEBRPDDECJ-UHFFFAOYSA-N
XLogP-1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-methylpiperazine-1-sulfonamide (CID 28775620) is N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-methylpiperazine-1-sulfonamide is CNS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-methylpiperazine-1-sulfonamide?
The InChIKey is HCDSYEBRPDDECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S/c1-6-11(9,10)8-4-2-7-3-5-8/h6-7H,2-5H2,1H3.
What are the key properties of N-methylpiperazine-1-sulfonamide?
N-methylpiperazine-1-sulfonamide has a molecular weight of 179.24 g/mol, XLogP of -1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 28775620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).