N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide

C17H34N4O3S — CID 118241748

IUPACN-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
SMILESCCC(CC(C)(C)C(CN(C)S(C)(=O)=O)OC(C)C)c1cn(C)nn1
InChIInChI=1S/C17H34N4O3S/c1-9-14(15-11-20(6)19-18-15)10-17(4,5)16(24-13(2)3)12-21(7)25(8,22)23/h11,13-14,16H,9-10,12H2,1-8H3
InChIKeySIWDIPUYSMQTEZ-UHFFFAOYSA-N
MW374.55 g/mol
LogP2.41
Rot. Bonds10

About N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide

N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide (PubChem CID 118241748) has the molecular formula C17H34N4O3S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
PubChem CID118241748
Molecular FormulaC17H34N4O3S
Molecular Weight374.55 g/mol
Exact Mass374.24
IUPAC NameN-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
SMILESCCC(CC(C)(C)C(CN(C)S(C)(=O)=O)OC(C)C)c1cn(C)nn1
InChIInChI=1S/C17H34N4O3S/c1-9-14(15-11-20(6)19-18-15)10-17(4,5)16(24-13(2)3)12-21(7)25(8,22)23/h11,13-14,16H,9-10,12H2,1-8H3
InChIKeySIWDIPUYSMQTEZ-UHFFFAOYSA-N
XLogP2.41
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(1-methyltriazol-4-yl)propyl]methanesulfonamide
CID 70799814
N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-3-(1-methyltriazol-4-yl)propan-2-yl]methanesulfonamide
CID 70799829
N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide
CID 118241750
N-methyl-N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide
CID 118241877
N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide
CID 146544924
N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-3,3,5-trimethyl-5-(4-methyltriazol-1-yl)hexan-2-yl]methanesulfonamide
CID 163424064
N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide
CID 163951225
1-[2-[2-[2-(3,3-Dimethylhexoxy)ethoxy]ethoxy]ethyl]-4-(2,2-dimethylpropyl)triazole
CID 167018476
4,4-Dimethyl-5-[1-(propan-2-yloxymethyl)triazol-4-yl]-2-propoxypentan-2-amine
CID 167447949
4,4-Dimethyl-2-(2-methylpropoxy)-5-[1-(propan-2-yloxymethyl)triazol-4-yl]pentan-2-amine
CID 167491644
1-(Ethylsulfanylmethyl)-4-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazole
CID 169660733
[4-[2,2-Dimethyl-4-(2-methylpropoxy)pentyl]triazol-1-yl]methanethiol
CID 170042161

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide (CID 118241748) is N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide is CCC(CC(C)(C)C(CN(C)S(C)(=O)=O)OC(C)C)c1cn(C)nn1.
What is the InChIKey of N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide?
The InChIKey is SIWDIPUYSMQTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3S/c1-9-14(15-11-20(6)19-18-15)10-17(4,5)16(24-13(2)3)12-21(7)25(8,22)23/h11,13-14,16H,9-10,12H2,1-8H3.
What are the key properties of N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide?
N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide has a molecular weight of 374.55 g/mol, XLogP of 2.41, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).