(3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide

C15H30N2O3S — CID 100692198

IUPAC(3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@@H]1CCN(C[C@H](O)C2CCCCC2)C1
InChIInChI=1S/C15H30N2O3S/c1-12(2)16-21(19,20)14-8-9-17(10-14)11-15(18)13-6-4-3-5-7-13/h12-16,18H,3-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyISDITTIMAWELCX-CABCVRRESA-N
MW318.48 g/mol
LogP1.33
Rot. Bonds6

About (3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide

(3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide (PubChem CID 100692198) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
PubChem CID100692198
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name(3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@@H]1CCN(C[C@H](O)C2CCCCC2)C1
InChIInChI=1S/C15H30N2O3S/c1-12(2)16-21(19,20)14-8-9-17(10-14)11-15(18)13-6-4-3-5-7-13/h12-16,18H,3-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyISDITTIMAWELCX-CABCVRRESA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The IUPAC name of (3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide (CID 100692198) is (3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for (3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for (3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide is CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@H](O)C2CCCCC2)C1.
What is the InChIKey of (3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
The InChIKey is ISDITTIMAWELCX-CABCVRRESA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-12(2)16-21(19,20)14-8-9-17(10-14)11-15(18)13-6-4-3-5-7-13/h12-16,18H,3-11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide?
(3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 100692198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).