2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide

C10H18N4O2S — CID 104532984

IUPAC2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
SMILESCCCNc1cncc(NCCS(N)(=O)=O)c1
InChIInChI=1S/C10H18N4O2S/c1-2-3-13-9-6-10(8-12-7-9)14-4-5-17(11,15)16/h6-8,13-14H,2-5H2,1H3,(H2,11,15,16)
InChIKeyHZUWKTGLJJZWBV-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.60
Rot. Bonds7

About 2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide

2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide (PubChem CID 104532984) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
PubChem CID104532984
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
SMILESCCCNc1cncc(NCCS(N)(=O)=O)c1
InChIInChI=1S/C10H18N4O2S/c1-2-3-13-9-6-10(8-12-7-9)14-4-5-17(11,15)16/h6-8,13-14H,2-5H2,1H3,(H2,11,15,16)
InChIKeyHZUWKTGLJJZWBV-UHFFFAOYSA-N
XLogP0.60
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
CID 104532985
3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
CID 114112659
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide
CID 104533999
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225
3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 113423725
5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532326
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine
CID 113424154
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide?
The IUPAC name of 2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide (CID 104532984) is 2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide is CCCNc1cncc(NCCS(N)(=O)=O)c1.
What is the InChIKey of 2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide?
The InChIKey is HZUWKTGLJJZWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-2-3-13-9-6-10(8-12-7-9)14-4-5-17(11,15)16/h6-8,13-14H,2-5H2,1H3,(H2,11,15,16).
What are the key properties of 2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide?
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide is sourced from PubChem (CID 104532984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).