4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide

C13H24N4O2S2 — CID 106092401

IUPAC4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCC1(SC)CCCCC1
InChIInChI=1S/C13H24N4O2S2/c1-14-8-11-9-15-17-12(11)21(18,19)16-10-13(20-2)6-4-3-5-7-13/h9,14,16H,3-8,10H2,1-2H3,(H,15,17)
InChIKeyQVTMLYLKZHQFAG-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.47
Rot. Bonds7

About 4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide

4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106092401) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID106092401
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCC1(SC)CCCCC1
InChIInChI=1S/C13H24N4O2S2/c1-14-8-11-9-15-17-12(11)21(18,19)16-10-13(20-2)6-4-3-5-7-13/h9,14,16H,3-8,10H2,1-2H3,(H,15,17)
InChIKeyQVTMLYLKZHQFAG-UHFFFAOYSA-N
XLogP1.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106090960
2-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093329
N-(1-ethylcyclobutyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 113489224
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106088314
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
5-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093156
N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086739
1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106090538
2,4-dichloro-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093164
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide (CID 106092401) is 4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NCC1(SC)CCCCC1.
What is the InChIKey of 4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is QVTMLYLKZHQFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-14-8-11-9-15-17-12(11)21(18,19)16-10-13(20-2)6-4-3-5-7-13/h9,14,16H,3-8,10H2,1-2H3,(H,15,17).
What are the key properties of 4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106092401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).