1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine

C14H24N4O2S — CID 63980020

IUPAC1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine
SMILESCC1CCN(S(=O)(=O)c2c(N)ncn2C)C2CCCCC12
InChIInChI=1S/C14H24N4O2S/c1-10-7-8-18(12-6-4-3-5-11(10)12)21(19,20)14-13(15)16-9-17(14)2/h9-12H,3-8,15H2,1-2H3
InChIKeyQLJAIRKTCNDRFH-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.59
Rot. Bonds2

About 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine

1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine (PubChem CID 63980020) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine
PubChem CID63980020
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine
SMILESCC1CCN(S(=O)(=O)c2c(N)ncn2C)C2CCCCC12
InChIInChI=1S/C14H24N4O2S/c1-10-7-8-18(12-6-4-3-5-11(10)12)21(19,20)14-13(15)16-9-17(14)2/h9-12H,3-8,15H2,1-2H3
InChIKeyQLJAIRKTCNDRFH-UHFFFAOYSA-N
XLogP1.59
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine
CID 63979630
5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine
CID 102955222
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60958991
1-ethylsulfonyl-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 61355027
(4R,4aS,8aS)-4-methyl-1-methylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 124790308
1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine
CID 114542823
5-amino-N-cyclopentyl-N,3-dimethylimidazole-4-sulfonamide
CID 63978307
[1-(5-amino-3-methylimidazol-4-yl)sulfonylazetidin-3-yl]methanol
CID 107213097
5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one
CID 60958990
2-chloro-4-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazole
CID 61047057
1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 63978094
5-amino-N-(2,3-dimethylcyclopentyl)-3-methylimidazole-4-sulfonamide
CID 64909714

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine?
The IUPAC name of 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine (CID 63980020) is 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine.
What is the SMILES notation for 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine?
The canonical SMILES for 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine is CC1CCN(S(=O)(=O)c2c(N)ncn2C)C2CCCCC12.
What is the InChIKey of 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine?
The InChIKey is QLJAIRKTCNDRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-10-7-8-18(12-6-4-3-5-11(10)12)21(19,20)14-13(15)16-9-17(14)2/h9-12H,3-8,15H2,1-2H3.
What are the key properties of 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine?
1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine has a molecular weight of 312.44 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]imidazol-4-amine is sourced from PubChem (CID 63980020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).