3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide

C9H16N4O2S — CID 62846667

IUPAC3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCCN)cn1
InChIInChI=1S/C9H16N4O2S/c1-8-5-12-9(6-11-8)7-13-16(14,15)4-2-3-10/h5-6,13H,2-4,7,10H2,1H3
InChIKeyOUIPKAGVKGPAKS-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.45
Rot. Bonds6

About 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide

3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 62846667) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide
PubChem CID62846667
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCCN)cn1
InChIInChI=1S/C9H16N4O2S/c1-8-5-12-9(6-11-8)7-13-16(14,15)4-2-3-10/h5-6,13H,2-4,7,10H2,1H3
InChIKeyOUIPKAGVKGPAKS-UHFFFAOYSA-N
XLogP-0.45
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide (CID 62846667) is 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide is Cc1cnc(CNS(=O)(=O)CCCN)cn1.
What is the InChIKey of 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is OUIPKAGVKGPAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-8-5-12-9(6-11-8)7-13-16(14,15)4-2-3-10/h5-6,13H,2-4,7,10H2,1H3.
What are the key properties of 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide?
3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-methylpyrazin-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 62846667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).