1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide

C17H31N4O3S+ — CID 9451921

IUPAC1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1
InChIInChI=1S/C17H30N4O3S/c1-14-16(15(2)20(3)19-14)25(22,23)18-13-17(7-5-4-6-8-17)21-9-11-24-12-10-21/h18H,4-13H2,1-3H3/p+1
InChIKeyDVAHYMJGEMPFOL-UHFFFAOYSA-O
MW371.53 g/mol
LogP-0.07
Rot. Bonds5

About 1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide (PubChem CID 9451921) has the molecular formula C17H31N4O3S+ and a molecular weight of 371.53 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide
PubChem CID9451921
Molecular FormulaC17H31N4O3S+
Molecular Weight371.53 g/mol
Exact Mass371.21
IUPAC Name1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1
InChIInChI=1S/C17H30N4O3S/c1-14-16(15(2)20(3)19-14)25(22,23)18-13-17(7-5-4-6-8-17)21-9-11-24-12-10-21/h18H,4-13H2,1-3H3/p+1
InChIKeyDVAHYMJGEMPFOL-UHFFFAOYSA-O
XLogP-0.07
TPSA77.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 167794277
N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62062940
3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide
CID 105359105
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71806401
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97355226
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 100721845
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 120666378
1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 55100929
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
1-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62061579

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide (CID 9451921) is 1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1.
What is the InChIKey of 1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is DVAHYMJGEMPFOL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H30N4O3S/c1-14-16(15(2)20(3)19-14)25(22,23)18-13-17(7-5-4-6-8-17)21-9-11-24-12-10-21/h18H,4-13H2,1-3H3/p+1.
What are the key properties of 1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 371.53 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 9451921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).