N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide

C14H19FN4O3S — CID 97420609

IUPACN-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2)C1CC1
InChIInChI=1S/C14H19FN4O3S/c15-11-3-16-13(17-4-11)19-5-10-6-22-9-14(10,8-19)7-18-23(20,21)12-1-2-12/h3-4,10,12,18H,1-2,5-9H2/t10-,14+/m1/s1
InChIKeyUHAMNMSMTFYGNK-YGRLFVJLSA-N
MW342.40 g/mol
LogP0.15
Rot. Bonds5

About N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide

N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide (PubChem CID 97420609) has the molecular formula C14H19FN4O3S and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide
PubChem CID97420609
Molecular FormulaC14H19FN4O3S
Molecular Weight342.40 g/mol
Exact Mass342.12
IUPAC NameN-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2)C1CC1
InChIInChI=1S/C14H19FN4O3S/c15-11-3-16-13(17-4-11)19-5-10-6-22-9-14(10,8-19)7-18-23(20,21)12-1-2-12/h3-4,10,12,18H,1-2,5-9H2/t10-,14+/m1/s1
InChIKeyUHAMNMSMTFYGNK-YGRLFVJLSA-N
XLogP0.15
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide (CID 97420609) is N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2)C1CC1.
What is the InChIKey of N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide?
The InChIKey is UHAMNMSMTFYGNK-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H19FN4O3S/c15-11-3-16-13(17-4-11)19-5-10-6-22-9-14(10,8-19)7-18-23(20,21)12-1-2-12/h3-4,10,12,18H,1-2,5-9H2/t10-,14+/m1/s1.
What are the key properties of N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide?
N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide has a molecular weight of 342.40 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 97420609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).