N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide

C18H30N2O3S — CID 69367197

IUPACN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC[C@H](O)CN2CC(C)CC2C)c(C)c1
InChIInChI=1S/C18H30N2O3S/c1-12-6-14(3)18(15(4)7-12)24(22,23)19-9-17(21)11-20-10-13(2)8-16(20)5/h6-7,13,16-17,19,21H,8-11H2,1-5H3/t13?,16?,17-/m0/s1
InChIKeyLTZZVPAFRWPMJZ-IMRCBTMISA-N
MW354.52 g/mol
LogP1.98
Rot. Bonds6

About N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide

N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 69367197) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID69367197
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC[C@H](O)CN2CC(C)CC2C)c(C)c1
InChIInChI=1S/C18H30N2O3S/c1-12-6-14(3)18(15(4)7-12)24(22,23)19-9-17(21)11-20-10-13(2)8-16(20)5/h6-7,13,16-17,19,21H,8-11H2,1-5H3/t13?,16?,17-/m0/s1
InChIKeyLTZZVPAFRWPMJZ-IMRCBTMISA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 69369504
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 69369500
2,5-dichloro-N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]benzenesulfonamide
CID 69367905
N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide
CID 69368073
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methoxybenzenesulfonamide
CID 69367593
N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzenesulfonamide
CID 69366997
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide
CID 90932964
N-(2-amino-3-hydroxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 64540008
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
(2S)-2-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 104933998
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide (CID 69367197) is N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC[C@H](O)CN2CC(C)CC2C)c(C)c1.
What is the InChIKey of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is LTZZVPAFRWPMJZ-IMRCBTMISA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-12-6-14(3)18(15(4)7-12)24(22,23)19-9-17(21)11-20-10-13(2)8-16(20)5/h6-7,13,16-17,19,21H,8-11H2,1-5H3/t13?,16?,17-/m0/s1.
What are the key properties of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 354.52 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 69367197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).