2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

C16H26N2O2S — CID 63300552

IUPAC2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26N2O2S/c1-5-8-18(15-6-7-17-11-15)21(19,20)16-13(3)9-12(2)10-14(16)4/h9-10,15,17H,5-8,11H2,1-4H3
InChIKeyCQDUQJXHRFGKDY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.37
Rot. Bonds5

About 2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63300552) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63300552
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26N2O2S/c1-5-8-18(15-6-7-17-11-15)21(19,20)16-13(3)9-12(2)10-14(16)4/h9-10,15,17H,5-8,11H2,1-4H3
InChIKeyCQDUQJXHRFGKDY-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,4,6-trimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299793
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976561
2-bromo-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976816
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
2-methyl-5-methylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976755
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
2,4-dibromo-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301061
2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976314

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63300552) is 2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCCN(C1CCNC1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is CQDUQJXHRFGKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-5-8-18(15-6-7-17-11-15)21(19,20)16-13(3)9-12(2)10-14(16)4/h9-10,15,17H,5-8,11H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63300552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).