N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide

C14H22N4O4S — CID 97460007

IUPACN-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NC[C@H]1OC[C@@H]2CCN(S(C)(=O)=O)C[C@@H]21
InChIInChI=1S/C14H22N4O4S/c1-17-6-4-15-13(17)14(19)16-7-12-11-8-18(23(2,20)21)5-3-10(11)9-22-12/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,16,19)/t10-,11-,12+/m0/s1
InChIKeyNFSNSBJSLVBYPL-SDDRHHMPSA-N
MW342.42 g/mol
LogP-0.55
Rot. Bonds4

About N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide

N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide (PubChem CID 97460007) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide
PubChem CID97460007
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NC[C@H]1OC[C@@H]2CCN(S(C)(=O)=O)C[C@@H]21
InChIInChI=1S/C14H22N4O4S/c1-17-6-4-15-13(17)14(19)16-7-12-11-8-18(23(2,20)21)5-3-10(11)9-22-12/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,16,19)/t10-,11-,12+/m0/s1
InChIKeyNFSNSBJSLVBYPL-SDDRHHMPSA-N
XLogP-0.55
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide (CID 97460007) is N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)NC[C@H]1OC[C@@H]2CCN(S(C)(=O)=O)C[C@@H]21.
What is the InChIKey of N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide?
The InChIKey is NFSNSBJSLVBYPL-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-17-6-4-15-13(17)14(19)16-7-12-11-8-18(23(2,20)21)5-3-10(11)9-22-12/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,16,19)/t10-,11-,12+/m0/s1.
What are the key properties of N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide?
N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aR,7aR)-5-methylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 97460007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).