N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide

C9H16N4O2S — CID 106331979

IUPACN-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1ccnc(N)c1
InChIInChI=1S/C9H16N4O2S/c1-16(14,15)13-5-2-4-11-8-3-6-12-9(10)7-8/h3,6-7,13H,2,4-5H2,1H3,(H3,10,11,12)
InChIKeyIDGPDNYTIJTGRK-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.01
Rot. Bonds6

About N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide

N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide (PubChem CID 106331979) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide
PubChem CID106331979
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1ccnc(N)c1
InChIInChI=1S/C9H16N4O2S/c1-16(14,15)13-5-2-4-11-8-3-6-12-9(10)7-8/h3,6-7,13H,2,4-5H2,1H3,(H3,10,11,12)
InChIKeyIDGPDNYTIJTGRK-UHFFFAOYSA-N
XLogP0.01
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-amino-4-pyridinyl)amino]pentanamide
CID 106241510
N-[3-[(5-amino-3-pyridinyl)amino]propyl]methanesulfonamide
CID 106332321
N-[3-(4-amino-3-propoxyanilino)propyl]methanesulfonamide
CID 106333876
N-[3-[4-amino-3-(cyanomethyl)anilino]propyl]methanesulfonamide
CID 106333705
N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide
CID 106333885
N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
CID 106333751
3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carbothioamide
CID 106339028
N-[3-(4-methyl-3-nitroanilino)propyl]methanesulfonamide
CID 106337440
N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 62168705
N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332318
N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332352

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide (CID 106331979) is N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNc1ccnc(N)c1.
What is the InChIKey of N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide?
The InChIKey is IDGPDNYTIJTGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-16(14,15)13-5-2-4-11-8-3-6-12-9(10)7-8/h3,6-7,13H,2,4-5H2,1H3,(H3,10,11,12).
What are the key properties of N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide?
N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106331979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).