N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride

C11H21ClN4O2S — CID 71894825

IUPACN-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCC2(N)CCCCC2)cn1
InChIInChI=1S/C11H20N4O2S.ClH/c1-15-8-10(7-13-15)18(16,17)14-9-11(12)5-3-2-4-6-11;/h7-8,14H,2-6,9,12H2,1H3;1H
InChIKeyGYQWBOJUHDPDGH-UHFFFAOYSA-N
MW308.83 g/mol
LogP0.78
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 71894825) has the molecular formula C11H21ClN4O2S and a molecular weight of 308.83 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
PubChem CID71894825
Molecular FormulaC11H21ClN4O2S
Molecular Weight308.83 g/mol
Exact Mass308.11
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCC2(N)CCCCC2)cn1
InChIInChI=1S/C11H20N4O2S.ClH/c1-15-8-10(7-13-15)18(16,17)14-9-11(12)5-3-2-4-6-11;/h7-8,14H,2-6,9,12H2,1H3;1H
InChIKeyGYQWBOJUHDPDGH-UHFFFAOYSA-N
XLogP0.78
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115456681
1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311056
N-[(1-aminocycloheptyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 62062813
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 62521953
N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide
CID 120875661
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 139028911
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
4-[(1-aminocycloheptyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 119998679
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 120896574
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride (CID 71894825) is N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)NCC2(N)CCCCC2)cn1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is GYQWBOJUHDPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S.ClH/c1-15-8-10(7-13-15)18(16,17)14-9-11(12)5-3-2-4-6-11;/h7-8,14H,2-6,9,12H2,1H3;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 308.83 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 71894825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).