N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

C12H25N5O2S — CID 103399113

IUPACN-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1cn(C(C)(C)C)nn1)NS(C)(=O)=O
InChIInChI=1S/C12H25N5O2S/c1-11(2,3)17-8-10(14-16-17)7-13-9-12(4,5)15-20(6,18)19/h8,13,15H,7,9H2,1-6H3
InChIKeyFHBXXDNIGDBDLC-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.45
Rot. Bonds6

About N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 103399113) has the molecular formula C12H25N5O2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID103399113
Molecular FormulaC12H25N5O2S
Molecular Weight303.43 g/mol
Exact Mass303.17
IUPAC NameN-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1cn(C(C)(C)C)nn1)NS(C)(=O)=O
InChIInChI=1S/C12H25N5O2S/c1-11(2,3)17-8-10(14-16-17)7-13-9-12(4,5)15-20(6,18)19/h8,13,15H,7,9H2,1-6H3
InChIKeyFHBXXDNIGDBDLC-UHFFFAOYSA-N
XLogP0.45
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 103399113) is N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCc1cn(C(C)(C)C)nn1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is FHBXXDNIGDBDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2S/c1-11(2,3)17-8-10(14-16-17)7-13-9-12(4,5)15-20(6,18)19/h8,13,15H,7,9H2,1-6H3.
What are the key properties of N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 103399113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).