N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide

C11H22N2O4S — CID 155602876

IUPACN-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCC[C@H](N2CCOCC2)[C@H]1O
InChIInChI=1S/C11H22N2O4S/c1-18(15,16)12-9-3-2-4-10(11(9)14)13-5-7-17-8-6-13/h9-12,14H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChIKeyGMFYJYKZNXQGKF-VWYCJHECSA-N
MW278.37 g/mol
LogP-0.85
Rot. Bonds3

About N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide

N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide (PubChem CID 155602876) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide
PubChem CID155602876
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCC[C@H](N2CCOCC2)[C@H]1O
InChIInChI=1S/C11H22N2O4S/c1-18(15,16)12-9-3-2-4-10(11(9)14)13-5-7-17-8-6-13/h9-12,14H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChIKeyGMFYJYKZNXQGKF-VWYCJHECSA-N
XLogP-0.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide?
The IUPAC name of N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide (CID 155602876) is N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCC[C@H](N2CCOCC2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide?
The InChIKey is GMFYJYKZNXQGKF-VWYCJHECSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-18(15,16)12-9-3-2-4-10(11(9)14)13-5-7-17-8-6-13/h9-12,14H,2-8H2,1H3/t9-,10+,11+/m1/s1.
What are the key properties of N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide?
N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S)-2-hydroxy-3-morpholin-4-ylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 155602876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).