5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine

C12H21N3O2S — CID 113424154

IUPAC5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)CCS(C)(=O)=O)c1
InChIInChI=1S/C12H21N3O2S/c1-4-5-14-11-8-12(10-13-9-11)15(2)6-7-18(3,16)17/h8-10,14H,4-7H2,1-3H3
InChIKeyKRYSADXGVBIBEL-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.38
Rot. Bonds7

About 5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine

5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 113424154) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine
PubChem CID113424154
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)CCS(C)(=O)=O)c1
InChIInChI=1S/C12H21N3O2S/c1-4-5-14-11-8-12(10-13-9-11)15(2)6-7-18(3,16)17/h8-10,14H,4-7H2,1-3H3
InChIKeyKRYSADXGVBIBEL-UHFFFAOYSA-N
XLogP1.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[5-(propylamino)-3-pyridinyl]amino]ethanol
CID 104532770
5-N-methyl-3-N-propyl-5-N-(3,3,3-trifluoropropyl)pyridine-3,5-diamine
CID 104535065
N,N-dimethyl-2-[methyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104532890
3-N,5-N,5-N-tripropylpyridine-3,5-diamine
CID 104532474
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
5-N-benzyl-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104531987
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533243
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533339
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 104535126
5-N-[(2-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533240

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine (CID 113424154) is 5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(N(C)CCS(C)(=O)=O)c1.
What is the InChIKey of 5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is KRYSADXGVBIBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-5-14-11-8-12(10-13-9-11)15(2)6-7-18(3,16)17/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine?
5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 271.39 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 113424154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).