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

C7H17N3O2S — CID 23573807

IUPACN-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C7H17N3O2S/c1-13(11,12)9-4-7-10-5-2-8-3-6-10/h8-9H,2-7H2,1H3
InChIKeyVEVPKZFGXDGXNV-UHFFFAOYSA-N
MW207.30 g/mol
LogP-1.56
Rot. Bonds4

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

N-(2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 23573807) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID23573807
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC NameN-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C7H17N3O2S/c1-13(11,12)9-4-7-10-5-2-8-3-6-10/h8-9H,2-7H2,1H3
InChIKeyVEVPKZFGXDGXNV-UHFFFAOYSA-N
XLogP-1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)methanesulfonamide (CID 23573807) is N-(2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)methanesulfonamide is CS(=O)(=O)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is VEVPKZFGXDGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-13(11,12)9-4-7-10-5-2-8-3-6-10/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-piperazin-1-ylethyl)methanesulfonamide?
N-(2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 207.30 g/mol, XLogP of -1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 23573807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).