4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine

C11H19N3O2S — CID 114600179

IUPAC4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
SMILESCC(CCCN)Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-9(5-3-7-12)14-11-10(17(2,15)16)6-4-8-13-11/h4,6,8-9H,3,5,7,12H2,1-2H3,(H,13,14)
InChIKeyVLEZOWSCTFLCPH-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.02
Rot. Bonds6

About 4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine

4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine (PubChem CID 114600179) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
PubChem CID114600179
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
SMILESCC(CCCN)Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-9(5-3-7-12)14-11-10(17(2,15)16)6-4-8-13-11/h4,6,8-9H,3,5,7,12H2,1-2H3,(H,13,14)
InChIKeyVLEZOWSCTFLCPH-UHFFFAOYSA-N
XLogP1.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598753
2-methyl-6-[(3-methylsulfonyl-2-pyridinyl)amino]heptanoic acid
CID 114598305
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
CID 106155564
N-(2-methylpentan-3-yl)-3-methylsulfonylpyridin-2-amine
CID 114598752
3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 114598966
N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598927
N-(1-cyclopentylethyl)-3-methylsulfonylpyridin-2-amine
CID 114598897
N-(1-cyclobutylethyl)-3-methylsulfonylpyridin-2-amine
CID 114599099
2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114153459
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
CID 114598760
3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 62732858

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine?
The IUPAC name of 4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine (CID 114600179) is 4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine is CC(CCCN)Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine?
The InChIKey is VLEZOWSCTFLCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(5-3-7-12)14-11-10(17(2,15)16)6-4-8-13-11/h4,6,8-9H,3,5,7,12H2,1-2H3,(H,13,14).
What are the key properties of 4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine?
4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine has a molecular weight of 257.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine is sourced from PubChem (CID 114600179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).