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

C17H34N4O3S — CID 118241750

IUPACN-[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)NS(C)(=O)=O)c1cn(C)nn1
InChIInChI=1S/C17H34N4O3S/c1-9-17(6,14-10-21(7)20-18-14)12-16(4,5)15(11-24-13(2)3)19-25(8,22)23/h10,13,15,19H,9,11-12H2,1-8H3
InChIKeyVRFZAVLMTCQYKD-UHFFFAOYSA-N
MW374.55 g/mol
LogP2.24
Rot. Bonds10

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

N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide (PubChem CID 118241750) has the molecular formula C17H34N4O3S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide
PubChem CID118241750
Molecular FormulaC17H34N4O3S
Molecular Weight374.55 g/mol
Exact Mass374.24
IUPAC NameN-[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)NS(C)(=O)=O)c1cn(C)nn1
InChIInChI=1S/C17H34N4O3S/c1-9-17(6,14-10-21(7)20-18-14)12-16(4,5)15(11-24-13(2)3)19-25(8,22)23/h10,13,15,19H,9,11-12H2,1-8H3
InChIKeyVRFZAVLMTCQYKD-UHFFFAOYSA-N
XLogP2.24
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 118241748
CID 118241748
CID 118241877
CID 118241877
CID 123513450
CID 123513450
CID 163951225
CID 163951225

Frequently Asked Questions

What is the IUPAC name of N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide?
The IUPAC name of N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide (CID 118241750) is N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide?
The canonical SMILES for 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)NS(C)(=O)=O)c1cn(C)nn1.
What is the InChIKey of N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide?
The InChIKey is VRFZAVLMTCQYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3S/c1-9-17(6,14-10-21(7)20-18-14)12-16(4,5)15(11-24-13(2)3)19-25(8,22)23/h10,13,15,19H,9,11-12H2,1-8H3.
What are the key properties of N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide?
N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide has a molecular weight of 374.55 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,5-trimethyl-5-(1-methyltriazol-4-yl)-1-propan-2-yloxyheptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).