N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide

C14H26N4O2S — CID 106027786

IUPACN-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)NCC2CCCCC2)cn1
InChIInChI=1S/C14H26N4O2S/c1-2-15-8-9-18-12-14(11-16-18)21(19,20)17-10-13-6-4-3-5-7-13/h11-13,15,17H,2-10H2,1H3
InChIKeyCHGPDAJWJQAYGD-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.35
Rot. Bonds8

About N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide

N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106027786) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106027786
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)NCC2CCCCC2)cn1
InChIInChI=1S/C14H26N4O2S/c1-2-15-8-9-18-12-14(11-16-18)21(19,20)17-10-13-6-4-3-5-7-13/h11-13,15,17H,2-10H2,1H3
InChIKeyCHGPDAJWJQAYGD-UHFFFAOYSA-N
XLogP1.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide
CID 106026808
1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732
1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 106071539
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
1-[2-(ethylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090606
1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075195
1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
CID 106378170
1-(3-hydroxypropyl)-N-[(3-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001022
1-[2-(ethylamino)ethyl]-N-(3-methylsulfanylbutyl)pyrazole-4-sulfonamide
CID 106082166

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide (CID 106027786) is N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide is CCNCCn1cc(S(=O)(=O)NCC2CCCCC2)cn1.
What is the InChIKey of N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is CHGPDAJWJQAYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-2-15-8-9-18-12-14(11-16-18)21(19,20)17-10-13-6-4-3-5-7-13/h11-13,15,17H,2-10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide?
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106027786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).