(2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide

C16H30N2O3S — CID 99807354

IUPAC(2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide
SMILESC=CCN(CC1CCCCC1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H30N2O3S/c1-4-10-17(13-16-8-6-5-7-9-16)22(19,20)18-11-14(2)21-15(3)12-18/h4,14-16H,1,5-13H2,2-3H3/t14-,15-/m1/s1
InChIKeySMNKNQIYRCMRBH-HUUCEWRRSA-N
MW330.49 g/mol
LogP2.41
Rot. Bonds6

About (2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide

(2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide (PubChem CID 99807354) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is (2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide
PubChem CID99807354
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name(2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide
SMILESC=CCN(CC1CCCCC1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H30N2O3S/c1-4-10-17(13-16-8-6-5-7-9-16)22(19,20)18-11-14(2)21-15(3)12-18/h4,14-16H,1,5-13H2,2-3H3/t14-,15-/m1/s1
InChIKeySMNKNQIYRCMRBH-HUUCEWRRSA-N
XLogP2.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide?
The IUPAC name of (2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide (CID 99807354) is (2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide is C=CCN(CC1CCCCC1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide?
The InChIKey is SMNKNQIYRCMRBH-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-4-10-17(13-16-8-6-5-7-9-16)22(19,20)18-11-14(2)21-15(3)12-18/h4,14-16H,1,5-13H2,2-3H3/t14-,15-/m1/s1.
What are the key properties of (2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide?
(2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide has a molecular weight of 330.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-(cyclohexylmethyl)-2,6-dimethyl-N-prop-2-enylmorpholine-4-sulfonamide is sourced from PubChem (CID 99807354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).