2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide

C15H22N8O3S — CID 156509941

IUPAC2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide
SMILESCc1cnc(CN(N)NC(N)c2ccc(S(=O)(=O)NCC(N)=O)cc2)cn1
InChIInChI=1S/C15H22N8O3S/c1-10-6-20-12(7-19-10)9-23(18)22-15(17)11-2-4-13(5-3-11)27(25,26)21-8-14(16)24/h2-7,15,21-22H,8-9,17-18H2,1H3,(H2,16,24)
InChIKeyDKDUVMYZPZUCHZ-UHFFFAOYSA-N
MW394.46 g/mol
LogP-1.61
Rot. Bonds9

About 2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide

2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide (PubChem CID 156509941) has the molecular formula C15H22N8O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide
PubChem CID156509941
Molecular FormulaC15H22N8O3S
Molecular Weight394.46 g/mol
Exact Mass394.15
IUPAC Name2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide
SMILESCc1cnc(CN(N)NC(N)c2ccc(S(=O)(=O)NCC(N)=O)cc2)cn1
InChIInChI=1S/C15H22N8O3S/c1-10-6-20-12(7-19-10)9-23(18)22-15(17)11-2-4-13(5-3-11)27(25,26)21-8-14(16)24/h2-7,15,21-22H,8-9,17-18H2,1H3,(H2,16,24)
InChIKeyDKDUVMYZPZUCHZ-UHFFFAOYSA-N
XLogP-1.61
TPSA182.35 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate
CID 137499982
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386
2-[(4-cyanophenyl)sulfonylamino]acetamide
CID 4844985
4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 65479645
2-[(4-hydrazinylphenyl)sulfonylamino]acetamide
CID 43545768
ethyl 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]acetate
CID 54921028
(5-methylpyrazin-2-yl)methylurea
CID 62845946
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide
CID 43662654
3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 3829331
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
CID 114613706
2-[(3-amino-4-ethylphenyl)sulfonylamino]acetamide
CID 43257083

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide (CID 156509941) is 2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide is Cc1cnc(CN(N)NC(N)c2ccc(S(=O)(=O)NCC(N)=O)cc2)cn1.
What is the InChIKey of 2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide?
The InChIKey is DKDUVMYZPZUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O3S/c1-10-6-20-12(7-19-10)9-23(18)22-15(17)11-2-4-13(5-3-11)27(25,26)21-8-14(16)24/h2-7,15,21-22H,8-9,17-18H2,1H3,(H2,16,24).
What are the key properties of 2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide?
2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide has a molecular weight of 394.46 g/mol, XLogP of -1.61, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 156509941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).