N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine

C12H20N4O2S — CID 103302994

IUPACN-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine
SMILESCNc1cccnc1S(=O)(=O)N1CCCN(C)CC1
InChIInChI=1S/C12H20N4O2S/c1-13-11-5-3-6-14-12(11)19(17,18)16-8-4-7-15(2)9-10-16/h3,5-6,13H,4,7-10H2,1-2H3
InChIKeyAOQVUJZRVUYLKD-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.45
Rot. Bonds3

About N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine

N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine (PubChem CID 103302994) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine
PubChem CID103302994
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine
SMILESCNc1cccnc1S(=O)(=O)N1CCCN(C)CC1
InChIInChI=1S/C12H20N4O2S/c1-13-11-5-3-6-14-12(11)19(17,18)16-8-4-7-15(2)9-10-16/h3,5-6,13H,4,7-10H2,1-2H3
InChIKeyAOQVUJZRVUYLKD-UHFFFAOYSA-N
XLogP0.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-pyrrolidin-1-ylsulfonylpyridin-3-amine
CID 103303592
2-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-3-amine
CID 103305907
1-[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-4-yl]ethanol
CID 106837532
N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 62148456
N-methyl-2-(2-methylmorpholin-4-yl)sulfonylpyridin-3-amine
CID 103303771
N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305951
[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 103306627
[2-(4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103300836
[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-2-yl]methanol
CID 103305482
[2-(4-cyclopropylpiperazin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103301085
3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043946
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine?
The IUPAC name of N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine (CID 103302994) is N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine.
What is the SMILES notation for N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine?
The canonical SMILES for N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine is CNc1cccnc1S(=O)(=O)N1CCCN(C)CC1.
What is the InChIKey of N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine?
The InChIKey is AOQVUJZRVUYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-13-11-5-3-6-14-12(11)19(17,18)16-8-4-7-15(2)9-10-16/h3,5-6,13H,4,7-10H2,1-2H3.
What are the key properties of N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine?
N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-3-amine is sourced from PubChem (CID 103302994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).