(2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one

C19H26N2O3S — CID 11222214

IUPAC(2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one
SMILESCC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)[C@H](N)Cc1ccccc1)[C@@H]3C2
InChIInChI=1S/C19H26N2O3S/c1-18(2)14-8-9-19(18)12-25(23,24)21(16(19)11-14)17(22)15(20)10-13-6-4-3-5-7-13/h3-7,14-16H,8-12,20H2,1-2H3/t14-,15-,16-,19-/m1/s1
InChIKeyUVWPGJOIMSANMO-YKTARERQSA-N
MW362.50 g/mol
LogP1.92
Rot. Bonds3

About (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one

(2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one (PubChem CID 11222214) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one
PubChem CID11222214
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name(2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one
SMILESCC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)[C@H](N)Cc1ccccc1)[C@@H]3C2
InChIInChI=1S/C19H26N2O3S/c1-18(2)14-8-9-19(18)12-25(23,24)21(16(19)11-14)17(22)15(20)10-13-6-4-3-5-7-13/h3-7,14-16H,8-12,20H2,1-2H3/t14-,15-,16-,19-/m1/s1
InChIKeyUVWPGJOIMSANMO-YKTARERQSA-N
XLogP1.92
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one (CID 11222214) is (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one is CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)[C@H](N)Cc1ccccc1)[C@@H]3C2.
What is the InChIKey of (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one?
The InChIKey is UVWPGJOIMSANMO-YKTARERQSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-18(2)14-8-9-19(18)12-25(23,24)21(16(19)11-14)17(22)15(20)10-13-6-4-3-5-7-13/h3-7,14-16H,8-12,20H2,1-2H3/t14-,15-,16-,19-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one?
(2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one has a molecular weight of 362.50 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 11222214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).