N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine

C12H23N5O2S — CID 64510360

IUPACN-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine
SMILESCc1nc(CN(C)S(=O)(=O)N(C)C2CCCCC2)n[nH]1
InChIInChI=1S/C12H23N5O2S/c1-10-13-12(15-14-10)9-16(2)20(18,19)17(3)11-7-5-4-6-8-11/h11H,4-9H2,1-3H3,(H,13,14,15)
InChIKeyUPIPLOIWWPRKDS-UHFFFAOYSA-N
MW301.42 g/mol
LogP1.05
Rot. Bonds5

About N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine

N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine (PubChem CID 64510360) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine
PubChem CID64510360
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC NameN-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine
SMILESCc1nc(CN(C)S(=O)(=O)N(C)C2CCCCC2)n[nH]1
InChIInChI=1S/C12H23N5O2S/c1-10-13-12(15-14-10)9-16(2)20(18,19)17(3)11-7-5-4-6-8-11/h11H,4-9H2,1-3H3,(H,13,14,15)
InChIKeyUPIPLOIWWPRKDS-UHFFFAOYSA-N
XLogP1.05
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine (CID 64510360) is N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine is Cc1nc(CN(C)S(=O)(=O)N(C)C2CCCCC2)n[nH]1.
What is the InChIKey of N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine?
The InChIKey is UPIPLOIWWPRKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-10-13-12(15-14-10)9-16(2)20(18,19)17(3)11-7-5-4-6-8-11/h11H,4-9H2,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine?
N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine has a molecular weight of 301.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclohexanamine is sourced from PubChem (CID 64510360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).