(2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide

C16H30N2O3S — CID 124735745

IUPAC(2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C[C@H](C)O1
InChIInChI=1S/C16H30N2O3S/c1-11-9-18(10-12(2)21-11)22(19,20)17-14-8-13-6-7-16(14,5)15(13,3)4/h11-14,17H,6-10H2,1-5H3/t11-,12+,13-,14+,16-/m1/s1
InChIKeyNVDBIICQNQCZDB-YMSVYLFOSA-N
MW330.49 g/mol
LogP2.14
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide

(2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide (PubChem CID 124735745) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide
PubChem CID124735745
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name(2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C[C@H](C)O1
InChIInChI=1S/C16H30N2O3S/c1-11-9-18(10-12(2)21-11)22(19,20)17-14-8-13-6-7-16(14,5)15(13,3)4/h11-14,17H,6-10H2,1-5H3/t11-,12+,13-,14+,16-/m1/s1
InChIKeyNVDBIICQNQCZDB-YMSVYLFOSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide?
The IUPAC name of (2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide (CID 124735745) is (2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide?
The canonical SMILES for (2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide is C[C@@H]1CN(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide?
The InChIKey is NVDBIICQNQCZDB-YMSVYLFOSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-11-9-18(10-12(2)21-11)22(19,20)17-14-8-13-6-7-16(14,5)15(13,3)4/h11-14,17H,6-10H2,1-5H3/t11-,12+,13-,14+,16-/m1/s1.
What are the key properties of (2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide?
(2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide has a molecular weight of 330.49 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]morpholine-4-sulfonamide is sourced from PubChem (CID 124735745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).