1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide

C14H24N4O2S — CID 128773848

IUPAC1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCC(C)n1ncnc1CNS(=O)(=O)CC12CCC(CC1)C2
InChIInChI=1S/C14H24N4O2S/c1-11(2)18-13(15-10-16-18)8-17-21(19,20)9-14-5-3-12(7-14)4-6-14/h10-12,17H,3-9H2,1-2H3
InChIKeyFCNNAZWPQWOHAF-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.86
Rot. Bonds6

About 1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide

1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide (PubChem CID 128773848) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
PubChem CID128773848
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCC(C)n1ncnc1CNS(=O)(=O)CC12CCC(CC1)C2
InChIInChI=1S/C14H24N4O2S/c1-11(2)18-13(15-10-16-18)8-17-21(19,20)9-14-5-3-12(7-14)4-6-14/h10-12,17H,3-9H2,1-2H3
InChIKeyFCNNAZWPQWOHAF-UHFFFAOYSA-N
XLogP1.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide (CID 128773848) is 1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide is CC(C)n1ncnc1CNS(=O)(=O)CC12CCC(CC1)C2.
What is the InChIKey of 1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The InChIKey is FCNNAZWPQWOHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11(2)18-13(15-10-16-18)8-17-21(19,20)9-14-5-3-12(7-14)4-6-14/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.1]heptanyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 128773848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).