N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide

C6H13N3O3S — CID 139344034

IUPACN-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CNCC(=O)N1
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)8-3-5-2-7-4-6(10)9-5/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyBXDFAXSKONJOPK-UHFFFAOYSA-N
MW207.25 g/mol
LogP-2.38
Rot. Bonds3

About N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide

N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide (PubChem CID 139344034) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide
PubChem CID139344034
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC NameN-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CNCC(=O)N1
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)8-3-5-2-7-4-6(10)9-5/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyBXDFAXSKONJOPK-UHFFFAOYSA-N
XLogP-2.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide (CID 139344034) is N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide is CS(=O)(=O)NCC1CNCC(=O)N1.
What is the InChIKey of N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide?
The InChIKey is BXDFAXSKONJOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-13(11,12)8-3-5-2-7-4-6(10)9-5/h5,7-8H,2-4H2,1H3,(H,9,10).
What are the key properties of N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide?
N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide has a molecular weight of 207.25 g/mol, XLogP of -2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139344034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).