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

C10H21N3O3S — CID 43597184

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H21N3O3S/c1-16-10-8-11-7-9(10)12-17(14,15)13-5-3-2-4-6-13/h9-12H,2-8H2,1H3/t9?,10-/m0/s1
InChIKeyWQDTYNUSYQSNAG-AXDSSHIGSA-N
MW263.36 g/mol
LogP-0.71
Rot. Bonds4

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

N-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide (PubChem CID 43597184) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide
PubChem CID43597184
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H21N3O3S/c1-16-10-8-11-7-9(10)12-17(14,15)13-5-3-2-4-6-13/h9-12H,2-8H2,1H3/t9?,10-/m0/s1
InChIKeyWQDTYNUSYQSNAG-AXDSSHIGSA-N
XLogP-0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.71
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]piperidine-1-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide (CID 43597184) is N-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide is CO[C@H]1CNCC1NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide?
The InChIKey is WQDTYNUSYQSNAG-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-16-10-8-11-7-9(10)12-17(14,15)13-5-3-2-4-6-13/h9-12H,2-8H2,1H3/t9?,10-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]piperidine-1-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of -0.71, 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]piperidine-1-sulfonamide is sourced from PubChem (CID 43597184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).