1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine

C16H31N5O2S — CID 98129382

IUPAC1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(c2cc(CN(C)S(=O)(=O)N(C)C)n(C)n2)CC1
InChIInChI=1S/C16H31N5O2S/c1-17-11-13-6-8-14(9-7-13)16-10-15(21(5)18-16)12-20(4)24(22,23)19(2)3/h10,13-14,17H,6-9,11-12H2,1-5H3
InChIKeyUUCPRMIRSOJFOH-UHFFFAOYSA-N
MW357.52 g/mol
LogP1.15
Rot. Bonds7

About 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine

1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine (PubChem CID 98129382) has the molecular formula C16H31N5O2S and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine
PubChem CID98129382
Molecular FormulaC16H31N5O2S
Molecular Weight357.52 g/mol
Exact Mass357.22
IUPAC Name1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(c2cc(CN(C)S(=O)(=O)N(C)C)n(C)n2)CC1
InChIInChI=1S/C16H31N5O2S/c1-17-11-13-6-8-14(9-7-13)16-10-15(21(5)18-16)12-20(4)24(22,23)19(2)3/h10,13-14,17H,6-9,11-12H2,1-5H3
InChIKeyUUCPRMIRSOJFOH-UHFFFAOYSA-N
XLogP1.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine (CID 98129382) is 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine is CNCC1CCC(c2cc(CN(C)S(=O)(=O)N(C)C)n(C)n2)CC1.
What is the InChIKey of 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine?
The InChIKey is UUCPRMIRSOJFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O2S/c1-17-11-13-6-8-14(9-7-13)16-10-15(21(5)18-16)12-20(4)24(22,23)19(2)3/h10,13-14,17H,6-9,11-12H2,1-5H3.
What are the key properties of 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine?
1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine has a molecular weight of 357.52 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[[dimethylsulfamoyl(methyl)amino]methyl]-1-methylpyrazol-3-yl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 98129382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).