1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine

C10H16N4O2S — CID 114407682

IUPAC1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine
SMILESCC1=CCN(S(=O)(=O)c2c(N)ncn2C)CC1
InChIInChI=1S/C10H16N4O2S/c1-8-3-5-14(6-4-8)17(15,16)10-9(11)12-7-13(10)2/h3,7H,4-6,11H2,1-2H3
InChIKeyVEJWNNMGNSPAPC-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.34
Rot. Bonds2

About 1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine

1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine (PubChem CID 114407682) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine
PubChem CID114407682
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine
SMILESCC1=CCN(S(=O)(=O)c2c(N)ncn2C)CC1
InChIInChI=1S/C10H16N4O2S/c1-8-3-5-14(6-4-8)17(15,16)10-9(11)12-7-13(10)2/h3,7H,4-6,11H2,1-2H3
InChIKeyVEJWNNMGNSPAPC-UHFFFAOYSA-N
XLogP0.34
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-(4-methylpiperidin-1-yl)sulfonylimidazol-4-amine
CID 63979630
1-[4-(5-amino-3-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 63978094
1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine
CID 114542823
[1-(5-amino-3-methylimidazol-4-yl)sulfonylazetidin-3-yl]methanol
CID 107213097
3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407765
5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine
CID 102955222
3-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407696
ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 144801740
1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767029
1-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrrole-2-carboxylic acid
CID 113437784
1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 63978894
3,4-difluoro-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407733

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine?
The IUPAC name of 1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine (CID 114407682) is 1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine.
What is the SMILES notation for 1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine?
The canonical SMILES for 1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine is CC1=CCN(S(=O)(=O)c2c(N)ncn2C)CC1.
What is the InChIKey of 1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine?
The InChIKey is VEJWNNMGNSPAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-8-3-5-14(6-4-8)17(15,16)10-9(11)12-7-13(10)2/h3,7H,4-6,11H2,1-2H3.
What are the key properties of 1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine?
1-methyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine has a molecular weight of 256.33 g/mol, XLogP of 0.34, 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-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]imidazol-4-amine is sourced from PubChem (CID 114407682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).