N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide

C10H22N2O4S — CID 79594310

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C10H22N2O4S/c1-8(2)16-4-5-17(13,14)12-9-6-11-7-10(9)15-3/h8-12H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyNQQFMDQJXRLGAS-AXDSSHIGSA-N
MW266.36 g/mol
LogP-0.68
Rot. Bonds7

About N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594310) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79594310
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C10H22N2O4S/c1-8(2)16-4-5-17(13,14)12-9-6-11-7-10(9)15-3/h8-12H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyNQQFMDQJXRLGAS-AXDSSHIGSA-N
XLogP-0.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide (CID 79594310) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide is CO[C@H]1CNCC1NS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is NQQFMDQJXRLGAS-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(2)16-4-5-17(13,14)12-9-6-11-7-10(9)15-3/h8-12H,4-7H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 266.36 g/mol, XLogP of -0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).