N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide

C13H23N3O4S — CID 97420574

IUPACN-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@]12COC[C@H]1CN(C(=O)N1CCCC1)C2
InChIInChI=1S/C13H23N3O4S/c1-21(18,19)14-8-13-9-16(6-11(13)7-20-10-13)12(17)15-4-2-3-5-15/h11,14H,2-10H2,1H3/t11-,13+/m1/s1
InChIKeyPKOUXZWFBHDHOU-YPMHNXCESA-N
MW317.41 g/mol
LogP-0.30
Rot. Bonds3

About N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide

N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide (PubChem CID 97420574) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
PubChem CID97420574
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@]12COC[C@H]1CN(C(=O)N1CCCC1)C2
InChIInChI=1S/C13H23N3O4S/c1-21(18,19)14-8-13-9-16(6-11(13)7-20-10-13)12(17)15-4-2-3-5-15/h11,14H,2-10H2,1H3/t11-,13+/m1/s1
InChIKeyPKOUXZWFBHDHOU-YPMHNXCESA-N
XLogP-0.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6aR)-3a-(methanesulfonamidomethyl)-N,N-dimethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxamide
CID 97420573
N-[[(3aR,6aS)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 125229267

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide (CID 97420574) is N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@]12COC[C@H]1CN(C(=O)N1CCCC1)C2.
What is the InChIKey of N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
The InChIKey is PKOUXZWFBHDHOU-YPMHNXCESA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-21(18,19)14-8-13-9-16(6-11(13)7-20-10-13)12(17)15-4-2-3-5-15/h11,14H,2-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide?
N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide has a molecular weight of 317.41 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97420574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).