N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine

C11H19N3O2S — CID 114599239

IUPACN'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-3-6-12-8-9-14-11-10(17(2,15)16)5-4-7-13-11/h4-5,7,12H,3,6,8-9H2,1-2H3,(H,13,14)
InChIKeyMUXZPEPSXSAUHM-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.90
Rot. Bonds7

About N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine

N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine (PubChem CID 114599239) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
PubChem CID114599239
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-3-6-12-8-9-14-11-10(17(2,15)16)5-4-7-13-11/h4-5,7,12H,3,6,8-9H2,1-2H3,(H,13,14)
InChIKeyMUXZPEPSXSAUHM-UHFFFAOYSA-N
XLogP0.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
CID 114598760
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
CID 106155564
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 114598691
N-methyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144977
N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 114598887
N-(2-ethyl-2-methylsulfanylbutyl)-3-methylsulfonylpyridin-2-amine
CID 106544549
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 104969986

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine (CID 114599239) is N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine is CCCNCCNc1ncccc1S(C)(=O)=O.
What is the InChIKey of N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine?
The InChIKey is MUXZPEPSXSAUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-6-12-8-9-14-11-10(17(2,15)16)5-4-7-13-11/h4-5,7,12H,3,6,8-9H2,1-2H3,(H,13,14).
What are the key properties of N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine?
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine has a molecular weight of 257.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 114599239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).