N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide

C18H30N2O3S — CID 69368073

IUPACN-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(O)CN2CC(C)CC2C)cc1
InChIInChI=1S/C18H30N2O3S/c1-4-5-16-6-8-18(9-7-16)24(22,23)19-11-17(21)13-20-12-14(2)10-15(20)3/h6-9,14-15,17,19,21H,4-5,10-13H2,1-3H3
InChIKeyRSENPFJXJWAMDD-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.01
Rot. Bonds8

About N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide

N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide (PubChem CID 69368073) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide
PubChem CID69368073
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(O)CN2CC(C)CC2C)cc1
InChIInChI=1S/C18H30N2O3S/c1-4-5-16-6-8-18(9-7-16)24(22,23)19-11-17(21)13-20-12-14(2)10-15(20)3/h6-9,14-15,17,19,21H,4-5,10-13H2,1-3H3
InChIKeyRSENPFJXJWAMDD-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.01
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
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide
CID 69367217
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methoxybenzenesulfonamide
CID 69367593
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide
CID 69367197
N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzenesulfonamide
CID 69366997
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide
CID 90932964
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide
CID 71787498
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
CID 104594124
N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
CID 69367313

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide (CID 69368073) is N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC(O)CN2CC(C)CC2C)cc1.
What is the InChIKey of N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide?
The InChIKey is RSENPFJXJWAMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-4-5-16-6-8-18(9-7-16)24(22,23)19-11-17(21)13-20-12-14(2)10-15(20)3/h6-9,14-15,17,19,21H,4-5,10-13H2,1-3H3.
What are the key properties of N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide?
N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide has a molecular weight of 354.52 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 69368073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).