1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine

C13H24N4O3S — CID 107396177

IUPAC1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C13H24N4O3S/c1-10-12(11(8-14-3)16-15-10)21(18,19)17-7-5-6-13(2,9-17)20-4/h14H,5-9H2,1-4H3,(H,15,16)
InChIKeyTVRBUQNTKZOORW-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.63
Rot. Bonds5

About 1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine

1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine (PubChem CID 107396177) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
PubChem CID107396177
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C13H24N4O3S/c1-10-12(11(8-14-3)16-15-10)21(18,19)17-7-5-6-13(2,9-17)20-4/h14H,5-9H2,1-4H3,(H,15,16)
InChIKeyTVRBUQNTKZOORW-UHFFFAOYSA-N
XLogP0.63
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylpiperazine
CID 63871956
3,5-dimethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 79886551
5-methyl-3-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 106064608
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106091832
N-[2-(2,2-difluoroethoxy)ethyl]-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106091968
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 16767831
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 17603268
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanamine
CID 24262642
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 28274269
3,5-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 28784791
3,5-dimethyl-N-[[(2R)-piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 28784793
3,5-dimethyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 28784812

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine (CID 107396177) is 1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine is CNCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C)(OC)C1.
What is the InChIKey of 1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is TVRBUQNTKZOORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-10-12(11(8-14-3)16-15-10)21(18,19)17-7-5-6-13(2,9-17)20-4/h14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine?
1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 316.43 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 107396177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).