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

C9H19N3O3S — CID 43597182

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H19N3O3S/c1-15-9-7-10-6-8(9)11-16(13,14)12-4-2-3-5-12/h8-11H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyHXJGPTZYZCTXPB-GKAPJAKFSA-N
MW249.34 g/mol
LogP-1.10
Rot. Bonds4

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

N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide (PubChem CID 43597182) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide
PubChem CID43597182
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H19N3O3S/c1-15-9-7-10-6-8(9)11-16(13,14)12-4-2-3-5-12/h8-11H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyHXJGPTZYZCTXPB-GKAPJAKFSA-N
XLogP-1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-propan-2-ylpyrrolidin-3-amine
CID 172205401
(3S,4R)-4-methoxy-N-propan-2-ylpyrrolidin-3-amine
CID 172489192
(3S,4S)-4-methoxy-N-propan-2-ylpyrrolidin-3-amine
CID 172489497
(3R,4R)-4-methoxy-N-propan-2-ylpyrrolidin-3-amine
CID 172489516
(3S)-3-methoxy-1-[(3R)-pyrrolidin-3-yl]pyrrolidine
CID 172489562
(3R,4S)-4-methoxy-N-propan-2-ylpyrrolidin-3-amine
CID 172490064
(3R)-3-methoxy-1-[(3S)-pyrrolidin-3-yl]pyrrolidine
CID 178568099
(4S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine
CID 43597164
(4S)-3-(dipropylsulfamoylamino)-4-methoxypyrrolidine
CID 43597165
N-[(4S)-4-methoxypyrrolidin-3-yl]morpholine-4-sulfonamide
CID 43597179
N-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide
CID 43597184
N-[(4S)-4-methoxypyrrolidin-3-yl]azepane-1-sulfonamide
CID 43597186

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide (CID 43597182) is N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide is CO[C@H]1CNCC1NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
The InChIKey is HXJGPTZYZCTXPB-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-15-9-7-10-6-8(9)11-16(13,14)12-4-2-3-5-12/h8-11H,2-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of -1.10, 4 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]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 43597182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).