(3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

C15H23N3O2S — CID 97461703

IUPAC(3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
SMILESCc1csc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)n1
InChIInChI=1S/C15H23N3O2S/c1-10-9-21-14(16-10)8-18-7-6-12-11(18)4-5-13(20-12)15(19)17(2)3/h9,11-13H,4-8H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyACSDUXBRGADAKR-JHJVBQTASA-N
MW309.44 g/mol
LogP1.66
Rot. Bonds3

About (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

(3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide (PubChem CID 97461703) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
PubChem CID97461703
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
SMILESCc1csc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)n1
InChIInChI=1S/C15H23N3O2S/c1-10-9-21-14(16-10)8-18-7-6-12-11(18)4-5-13(20-12)15(19)17(2)3/h9,11-13H,4-8H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyACSDUXBRGADAKR-JHJVBQTASA-N
XLogP1.66
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide (CID 97461703) is (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide is Cc1csc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)n1.
What is the InChIKey of (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ACSDUXBRGADAKR-JHJVBQTASA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-9-21-14(16-10)8-18-7-6-12-11(18)4-5-13(20-12)15(19)17(2)3/h9,11-13H,4-8H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
(3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,7aR)-N,N-dimethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 97461703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).