N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide

C9H16N4O3S — CID 62374628

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H16N4O3S/c1-13-5-9(11-6-13)17(14,15)12-7-3-10-4-8(7)16-2/h5-8,10,12H,3-4H2,1-2H3/t7?,8-/m0/s1
InChIKeyTZKTYYULDZXYML-MQWKRIRWSA-N
MW260.32 g/mol
LogP-1.31
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 62374628) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide
PubChem CID62374628
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H16N4O3S/c1-13-5-9(11-6-13)17(14,15)12-7-3-10-4-8(7)16-2/h5-8,10,12H,3-4H2,1-2H3/t7?,8-/m0/s1
InChIKeyTZKTYYULDZXYML-MQWKRIRWSA-N
XLogP-1.31
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 55030433
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43597155
1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide
CID 62375787
N-(2-bromocycloheptyl)-1-methylimidazole-4-sulfonamide
CID 113395175
N-(4-chloro-1,1-dioxothiolan-3-yl)-1-methylimidazole-4-sulfonamide
CID 113290314
N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide
CID 106367783
N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
CID 115881173
N-(2-bromo-2-cyclopropylethyl)-1-methylimidazole-4-sulfonamide
CID 114294580
4-bromo-2-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 104889684
4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66238891
3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597244
N-(4-methoxypyrrolidin-3-yl)propane-2-sulfonamide
CID 76891612

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide (CID 62374628) is N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide is CO[C@H]1CNCC1NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is TZKTYYULDZXYML-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-13-5-9(11-6-13)17(14,15)12-7-3-10-4-8(7)16-2/h5-8,10,12H,3-4H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -1.31, 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-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62374628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).