4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide

C10H18N4O2S — CID 62846484

IUPAC4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCCCN)cn1
InChIInChI=1S/C10H18N4O2S/c1-9-6-13-10(7-12-9)8-14-17(15,16)5-3-2-4-11/h6-7,14H,2-5,8,11H2,1H3
InChIKeyAQZUPXGDQHJYGB-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.06
Rot. Bonds7

About 4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide

4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide (PubChem CID 62846484) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide
PubChem CID62846484
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCCCN)cn1
InChIInChI=1S/C10H18N4O2S/c1-9-6-13-10(7-12-9)8-14-17(15,16)5-3-2-4-11/h6-7,14H,2-5,8,11H2,1H3
InChIKeyAQZUPXGDQHJYGB-UHFFFAOYSA-N
XLogP-0.06
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide (CID 62846484) is 4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide is Cc1cnc(CNS(=O)(=O)CCCCN)cn1.
What is the InChIKey of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is AQZUPXGDQHJYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-9-6-13-10(7-12-9)8-14-17(15,16)5-3-2-4-11/h6-7,14H,2-5,8,11H2,1H3.
What are the key properties of 4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide?
4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methylpyrazin-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 62846484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).