N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide

C13H26N4O2S — CID 118241867

IUPACN-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide
SMILESCCC(Cc1cnnn1C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C13H26N4O2S/c1-7-11(8-12-10-14-15-16(12)4)9-13(2,3)17(5)20(6,18)19/h10-11H,7-9H2,1-6H3
InChIKeyCVAJIVKSEYSOIE-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.44
Rot. Bonds7

About N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide

N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide (PubChem CID 118241867) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide
PubChem CID118241867
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC NameN-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide
SMILESCCC(Cc1cnnn1C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C13H26N4O2S/c1-7-11(8-12-10-14-15-16(12)4)9-13(2,3)17(5)20(6,18)19/h10-11H,7-9H2,1-6H3
InChIKeyCVAJIVKSEYSOIE-UHFFFAOYSA-N
XLogP1.44
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide (CID 118241867) is N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide is CCC(Cc1cnnn1C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide?
The InChIKey is CVAJIVKSEYSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-7-11(8-12-10-14-15-16(12)4)9-13(2,3)17(5)20(6,18)19/h10-11H,7-9H2,1-6H3.
What are the key properties of N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).