6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide

C9H15N5O3S — CID 114175964

IUPAC6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cncc(N)n1
InChIInChI=1S/C9H15N5O3S/c1-18(16,17)13-4-2-3-12-9(15)7-5-11-6-8(10)14-7/h5-6,13H,2-4H2,1H3,(H2,10,14)(H,12,15)
InChIKeyICCCPENWDSCLBM-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.27
Rot. Bonds6

About 6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide

6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide (PubChem CID 114175964) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
PubChem CID114175964
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cncc(N)n1
InChIInChI=1S/C9H15N5O3S/c1-18(16,17)13-4-2-3-12-9(15)7-5-11-6-8(10)14-7/h5-6,13H,2-4H2,1H3,(H2,10,14)(H,12,15)
InChIKeyICCCPENWDSCLBM-UHFFFAOYSA-N
XLogP-1.27
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
CID 106340799
5-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
CID 106340836
N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide
CID 106342397
N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 78988761
5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106332653
6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
CID 106342410
N-[3-[(6-aminopyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877092
2-amino-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-4-carboxamide
CID 62788374
N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide
CID 106342407
6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 62240593
6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide
CID 106342396
5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106342053

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide?
The IUPAC name of 6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide (CID 114175964) is 6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide is CS(=O)(=O)NCCCNC(=O)c1cncc(N)n1.
What is the InChIKey of 6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide?
The InChIKey is ICCCPENWDSCLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-18(16,17)13-4-2-3-12-9(15)7-5-11-6-8(10)14-7/h5-6,13H,2-4H2,1H3,(H2,10,14)(H,12,15).
What are the key properties of 6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide?
6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of -1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 114175964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).