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

C9H20N2O3S — CID 43597262

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C9H20N2O3S/c1-3-4-5-15(12,13)11-8-6-10-7-9(8)14-2/h8-11H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyUAGOLUUQNBTGGN-GKAPJAKFSA-N
MW236.34 g/mol
LogP-0.31
Rot. Bonds6

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

N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide (PubChem CID 43597262) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide
PubChem CID43597262
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C9H20N2O3S/c1-3-4-5-15(12,13)11-8-6-10-7-9(8)14-2/h8-11H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyUAGOLUUQNBTGGN-GKAPJAKFSA-N
XLogP-0.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide (CID 43597262) is N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CNC[C@@H]1OC.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide?
The InChIKey is UAGOLUUQNBTGGN-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-4-5-15(12,13)11-8-6-10-7-9(8)14-2/h8-11H,3-7H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 43597262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).