N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

C14H26N4O2S — CID 106053045

IUPACN-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2n[nH]c(C)c2CNC)CC1
InChIInChI=1S/C14H26N4O2S/c1-4-11-5-7-12(8-6-11)18-21(19,20)14-13(9-15-3)10(2)16-17-14/h11-12,15,18H,4-9H2,1-3H3,(H,16,17)
InChIKeyWGHHVZFATPTMGW-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.68
Rot. Bonds6

About N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106053045) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
PubChem CID106053045
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2n[nH]c(C)c2CNC)CC1
InChIInChI=1S/C14H26N4O2S/c1-4-11-5-7-12(8-6-11)18-21(19,20)14-13(9-15-3)10(2)16-17-14/h11-12,15,18H,4-9H2,1-3H3,(H,16,17)
InChIKeyWGHHVZFATPTMGW-UHFFFAOYSA-N
XLogP1.68
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106053103
5-methyl-4-(methylaminomethyl)-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106091335
5-methyl-4-(methylaminomethyl)-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078547
5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106052878
4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106090791
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
CID 115562882
N-(2-ethoxyethyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 114137677
5-methyl-4-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106086341
5-methyl-4-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106094369
5-methyl-4-[(propan-2-ylamino)methyl]-N-(thian-3-yl)-1H-pyrazole-3-sulfonamide
CID 106081527
4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106018999
5-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-3-sulfonamide
CID 114142069

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (CID 106053045) is N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is CCC1CCC(NS(=O)(=O)c2n[nH]c(C)c2CNC)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is WGHHVZFATPTMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-11-5-7-12(8-6-11)18-21(19,20)14-13(9-15-3)10(2)16-17-14/h11-12,15,18H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106053045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).