N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide

C14H26N6O2S — CID 91777790

IUPACN-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCn1c(CN2CCC(NS(C)(=O)=O)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C14H26N6O2S/c1-19-13(16-17-14(19)10-7-11(15)8-10)9-20-5-3-12(4-6-20)18-23(2,21)22/h10-12,18H,3-9,15H2,1-2H3
InChIKeyGNJVFCPQKYILHI-UHFFFAOYSA-N
MW342.47 g/mol
LogP-0.47
Rot. Bonds5

About N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide

N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 91777790) has the molecular formula C14H26N6O2S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide
PubChem CID91777790
Molecular FormulaC14H26N6O2S
Molecular Weight342.47 g/mol
Exact Mass342.18
IUPAC NameN-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCn1c(CN2CCC(NS(C)(=O)=O)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C14H26N6O2S/c1-19-13(16-17-14(19)10-7-11(15)8-10)9-20-5-3-12(4-6-20)18-23(2,21)22/h10-12,18H,3-9,15H2,1-2H3
InChIKeyGNJVFCPQKYILHI-UHFFFAOYSA-N
XLogP-0.47
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide (CID 91777790) is N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide is Cn1c(CN2CCC(NS(C)(=O)=O)CC2)nnc1C1CC(N)C1.
What is the InChIKey of N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is GNJVFCPQKYILHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2S/c1-19-13(16-17-14(19)10-7-11(15)8-10)9-20-5-3-12(4-6-20)18-23(2,21)22/h10-12,18H,3-9,15H2,1-2H3.
What are the key properties of N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 342.47 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 91777790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).