N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide

C13H24N4O2S — CID 131950420

IUPACN-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCCN(C)C1(CNS(=O)(=O)c2cn[nH]c2)CCCCC1
InChIInChI=1S/C13H24N4O2S/c1-3-17(2)13(7-5-4-6-8-13)11-16-20(18,19)12-9-14-15-10-12/h9-10,16H,3-8,11H2,1-2H3,(H,14,15)
InChIKeyBJZFQTSCNTWAAT-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.34
Rot. Bonds6

About N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide

N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 131950420) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID131950420
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCCN(C)C1(CNS(=O)(=O)c2cn[nH]c2)CCCCC1
InChIInChI=1S/C13H24N4O2S/c1-3-17(2)13(7-5-4-6-8-13)11-16-20(18,19)12-9-14-15-10-12/h9-10,16H,3-8,11H2,1-2H3,(H,14,15)
InChIKeyBJZFQTSCNTWAAT-UHFFFAOYSA-N
XLogP1.34
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(1S,5S)-9-methyl-3-(1H-pyrazol-4-ylsulfonyl)-3,9-diazabicyclo[3.3.2]decane
CID 131915395
N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 164629647
2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60911158
4-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60911289
4-tert-butyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 62085445
(3R)-3-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 137534618
N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 45833334
1-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 45891440
N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 47265979
N-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 47265983
1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47267363
1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47267368

Frequently Asked Questions

What is the IUPAC name of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide (CID 131950420) is N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide is CCN(C)C1(CNS(=O)(=O)c2cn[nH]c2)CCCCC1.
What is the InChIKey of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is BJZFQTSCNTWAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-17(2)13(7-5-4-6-8-13)11-16-20(18,19)12-9-14-15-10-12/h9-10,16H,3-8,11H2,1-2H3,(H,14,15).
What are the key properties of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide?
N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 131950420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).