N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide

C11H20N4O3S — CID 43597155

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H20N4O3S/c1-7-11(8(2)15(3)13-7)19(16,17)14-9-5-12-6-10(9)18-4/h9-10,12,14H,5-6H2,1-4H3/t9?,10-/m0/s1
InChIKeyCDVPJSJOHZZCPD-AXDSSHIGSA-N
MW288.37 g/mol
LogP-0.70
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 43597155) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID43597155
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H20N4O3S/c1-7-11(8(2)15(3)13-7)19(16,17)14-9-5-12-6-10(9)18-4/h9-10,12,14H,5-6H2,1-4H3/t9?,10-/m0/s1
InChIKeyCDVPJSJOHZZCPD-AXDSSHIGSA-N
XLogP-0.70
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 79684858
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide
CID 62374628
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 55030433
N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104953256
N-[2-(dimethylamino)cyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126826994
1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
CID 55030816
N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 103835944
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22204440
N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide
CID 76891612
1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide
CID 63622695
N-(1-bromo-3-methoxypropan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 114155453
1,3,5-trimethyl-N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]pyrazole-4-sulfonamide
CID 95331561

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 43597155) is N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide is CO[C@H]1CNCC1NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is CDVPJSJOHZZCPD-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-7-11(8(2)15(3)13-7)19(16,17)14-9-5-12-6-10(9)18-4/h9-10,12,14H,5-6H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 43597155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).