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

C12H21N3O3S — CID 114598399

IUPACN'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine
SMILESCOCCN(CCCN)c1ncccc1S(C)(=O)=O
InChIInChI=1S/C12H21N3O3S/c1-18-10-9-15(8-4-6-13)12-11(19(2,16)17)5-3-7-14-12/h3,5,7H,4,6,8-10,13H2,1-2H3
InChIKeyVCCLNUWSAMWUKD-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.29
Rot. Bonds8

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

N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine (PubChem CID 114598399) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine
PubChem CID114598399
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine
SMILESCOCCN(CCCN)c1ncccc1S(C)(=O)=O
InChIInChI=1S/C12H21N3O3S/c1-18-10-9-15(8-4-6-13)12-11(19(2,16)17)5-3-7-14-12/h3,5,7H,4,6,8-10,13H2,1-2H3
InChIKeyVCCLNUWSAMWUKD-UHFFFAOYSA-N
XLogP0.29
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63287337
N-(3-bromopropyl)-N-ethyl-3-methylsulfonylpyridin-2-amine
CID 114600066
N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494189
N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 55172472
3-[3-aminopropyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 63287336
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532
N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 66341638
N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 63287115
N'-(2-methoxyethyl)-N'-quinolin-4-ylpropane-1,3-diamine
CID 63287108
N'-(2-methoxyethyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 63287295
N'-(2-methoxyethyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63287741
methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 115538155

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine (CID 114598399) is N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine is COCCN(CCCN)c1ncccc1S(C)(=O)=O.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine?
The InChIKey is VCCLNUWSAMWUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-18-10-9-15(8-4-6-13)12-11(19(2,16)17)5-3-7-14-12/h3,5,7H,4,6,8-10,13H2,1-2H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine?
N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine has a molecular weight of 287.38 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 114598399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).