(3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide

C11H21N3O4S — CID 97420573

IUPAC(3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1
InChIInChI=1S/C11H21N3O4S/c1-13(2)10(15)14-4-9-5-18-8-11(9,7-14)6-12-19(3,16)17/h9,12H,4-8H2,1-3H3/t9-,11+/m1/s1
InChIKeyHXGFGQLNDMAWIP-KOLCDFICSA-N
MW291.37 g/mol
LogP-0.83
Rot. Bonds3

About (3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide

(3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide (PubChem CID 97420573) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is (3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide
PubChem CID97420573
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name(3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1
InChIInChI=1S/C11H21N3O4S/c1-13(2)10(15)14-4-9-5-18-8-11(9,7-14)6-12-19(3,16)17/h9,12H,4-8H2,1-3H3/t9-,11+/m1/s1
InChIKeyHXGFGQLNDMAWIP-KOLCDFICSA-N
XLogP-0.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of (3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide (CID 97420573) is (3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for (3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide is CN(C)C(=O)N1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1.
What is the InChIKey of (3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is HXGFGQLNDMAWIP-KOLCDFICSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-13(2)10(15)14-4-9-5-18-8-11(9,7-14)6-12-19(3,16)17/h9,12H,4-8H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of (3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide?
(3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 291.37 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 97420573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).