N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide

C18H36N4O3S — CID 118241877

IUPACN-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide
SMILESCCC(C)(CC(C)(C)C(COC(C)C)N(C)S(C)(=O)=O)c1cn(C)nn1
InChIInChI=1S/C18H36N4O3S/c1-10-18(6,15-11-21(7)20-19-15)13-17(4,5)16(12-25-14(2)3)22(8)26(9,23)24/h11,14,16H,10,12-13H2,1-9H3
InChIKeyZUCIAFVOSYVGHQ-UHFFFAOYSA-N
MW388.58 g/mol
LogP2.58
Rot. Bonds10

About N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide

N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide (PubChem CID 118241877) has the molecular formula C18H36N4O3S and a molecular weight of 388.58 g/mol. Its IUPAC name is N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide
PubChem CID118241877
Molecular FormulaC18H36N4O3S
Molecular Weight388.58 g/mol
Exact Mass388.25
IUPAC NameN-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide
SMILESCCC(C)(CC(C)(C)C(COC(C)C)N(C)S(C)(=O)=O)c1cn(C)nn1
InChIInChI=1S/C18H36N4O3S/c1-10-18(6,15-11-21(7)20-19-15)13-17(4,5)16(12-25-14(2)3)22(8)26(9,23)24/h11,14,16H,10,12-13H2,1-9H3
InChIKeyZUCIAFVOSYVGHQ-UHFFFAOYSA-N
XLogP2.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 58408548
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CID 70799814
CID 70799814
CID 70799829
CID 70799829
CID 118241748
CID 118241748
CID 118241750
CID 118241750
CID 163424064
CID 163424064
CID 163951225
CID 163951225
CID 166889047
CID 166889047

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide (CID 118241877) is N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide is CCC(C)(CC(C)(C)C(COC(C)C)N(C)S(C)(=O)=O)c1cn(C)nn1.
What is the InChIKey of N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide?
The InChIKey is ZUCIAFVOSYVGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O3S/c1-10-18(6,15-11-21(7)20-19-15)13-17(4,5)16(12-25-14(2)3)22(8)26(9,23)24/h11,14,16H,10,12-13H2,1-9H3.
What are the key properties of N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide?
N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide has a molecular weight of 388.58 g/mol, XLogP of 2.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).