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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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).