2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine

C12H21N3O2S — CID 106155564

IUPAC2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
SMILESCC(CN)CCCNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-10(9-13)5-3-7-14-12-11(18(2,16)17)6-4-8-15-12/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,15)
InChIKeyVBQOXFLEQXSVRO-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.27
Rot. Bonds7

About 2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine

2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine (PubChem CID 106155564) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
PubChem CID106155564
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
SMILESCC(CN)CCCNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-10(9-13)5-3-7-14-12-11(18(2,16)17)6-4-8-15-12/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,15)
InChIKeyVBQOXFLEQXSVRO-UHFFFAOYSA-N
XLogP1.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.27
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
2-methyl-N'-(2-methylsulfonylphenyl)pentane-1,5-diamine
CID 114151164
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329
4-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 114600179
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
N-(6-methylheptan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598753
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 114598664
2-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598733
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114153459
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine?
The IUPAC name of 2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine (CID 106155564) is 2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine is CC(CN)CCCNc1ncccc1S(C)(=O)=O.
What is the InChIKey of 2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine?
The InChIKey is VBQOXFLEQXSVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(9-13)5-3-7-14-12-11(18(2,16)17)6-4-8-15-12/h4,6,8,10H,3,5,7,9,13H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine?
2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine has a molecular weight of 271.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine is sourced from PubChem (CID 106155564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).