N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide

C16H26N2O2S — CID 102639359

IUPACN-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(C)C2CCCCC2N)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-6-13-9-11-14(12-10-13)21(19,20)18(2)16-8-5-4-7-15(16)17/h9-12,15-16H,3-8,17H2,1-2H3
InChIKeyHLCSJZDAGYHHTK-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.53
Rot. Bonds5

About N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide

N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide (PubChem CID 102639359) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide
PubChem CID102639359
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(C)C2CCCCC2N)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-6-13-9-11-14(12-10-13)21(19,20)18(2)16-8-5-4-7-15(16)17/h9-12,15-16H,3-8,17H2,1-2H3
InChIKeyHLCSJZDAGYHHTK-UHFFFAOYSA-N
XLogP2.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide (CID 102639359) is N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(C)C2CCCCC2N)cc1.
What is the InChIKey of N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide?
The InChIKey is HLCSJZDAGYHHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-6-13-9-11-14(12-10-13)21(19,20)18(2)16-8-5-4-7-15(16)17/h9-12,15-16H,3-8,17H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide?
N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide is sourced from PubChem (CID 102639359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).