N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide

C11H22N2O3S — CID 61150579

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-16-11-8-12-7-10(11)13-17(14,15)9-5-3-2-4-6-9/h9-13H,2-8H2,1H3/t10?,11-/m0/s1
InChIKeyIMFKTAGJYNIGIN-DTIOYNMSSA-N
MW262.37 g/mol
LogP0.23
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide (PubChem CID 61150579) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide
PubChem CID61150579
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-16-11-8-12-7-10(11)13-17(14,15)9-5-3-2-4-6-9/h9-13H,2-8H2,1H3/t10?,11-/m0/s1
InChIKeyIMFKTAGJYNIGIN-DTIOYNMSSA-N
XLogP0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.23
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]cyclohexanesulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide (CID 61150579) is N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide is CO[C@H]1CNCC1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide?
The InChIKey is IMFKTAGJYNIGIN-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-16-11-8-12-7-10(11)13-17(14,15)9-5-3-2-4-6-9/h9-13H,2-8H2,1H3/t10?,11-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohexanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.23, 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]cyclohexanesulfonamide is sourced from PubChem (CID 61150579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).