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

C8H18N2O3S — CID 43597260

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C8H18N2O3S/c1-3-4-14(11,12)10-7-5-9-6-8(7)13-2/h7-10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyKLCUOZYFGQDWSP-MQWKRIRWSA-N
MW222.31 g/mol
LogP-0.70
Rot. Bonds5

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

N-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 43597260) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID43597260
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C8H18N2O3S/c1-3-4-14(11,12)10-7-5-9-6-8(7)13-2/h7-10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyKLCUOZYFGQDWSP-MQWKRIRWSA-N
XLogP-0.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.70
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]propane-1-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide (CID 43597260) is N-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CNC[C@@H]1OC.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is KLCUOZYFGQDWSP-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-4-14(11,12)10-7-5-9-6-8(7)13-2/h7-10H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.70, 5 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]propane-1-sulfonamide is sourced from PubChem (CID 43597260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).