N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide

C15H26N2O3S — CID 75425778

IUPACN,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CCC1CCCC(C)C1
InChIInChI=1S/C15H26N2O3S/c1-11-6-5-7-14(10-11)8-9-17(4)21(18,19)15-12(2)16-20-13(15)3/h11,14H,5-10H2,1-4H3
InChIKeyGRPOQHVFFFHRNV-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.13
Rot. Bonds5

About N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide

N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 75425778) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID75425778
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CCC1CCCC(C)C1
InChIInChI=1S/C15H26N2O3S/c1-11-6-5-7-14(10-11)8-9-17(4)21(18,19)15-12(2)16-20-13(15)3/h11,14H,5-10H2,1-4H3
InChIKeyGRPOQHVFFFHRNV-UHFFFAOYSA-N
XLogP3.13
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide (CID 75425778) is N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)CCC1CCCC(C)C1.
What is the InChIKey of N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is GRPOQHVFFFHRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-11-6-5-7-14(10-11)8-9-17(4)21(18,19)15-12(2)16-20-13(15)3/h11,14H,5-10H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide?
N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 75425778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).