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

C16H26N2O3S — CID 69369500

IUPACN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC[C@H](O)CN2CC(C)CC2C)c1
InChIInChI=1S/C16H26N2O3S/c1-12-5-4-6-16(8-12)22(20,21)17-9-15(19)11-18-10-13(2)7-14(18)3/h4-6,8,13-15,17,19H,7,9-11H2,1-3H3/t13?,14?,15-/m0/s1
InChIKeyHSAXTGMGCWQGOS-NRXISQOPSA-N
MW326.46 g/mol
LogP1.36
Rot. Bonds6

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

N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide (PubChem CID 69369500) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
PubChem CID69369500
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC[C@H](O)CN2CC(C)CC2C)c1
InChIInChI=1S/C16H26N2O3S/c1-12-5-4-6-16(8-12)22(20,21)17-9-15(19)11-18-10-13(2)7-14(18)3/h4-6,8,13-15,17,19H,7,9-11H2,1-3H3/t13?,14?,15-/m0/s1
InChIKeyHSAXTGMGCWQGOS-NRXISQOPSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.36
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-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]-4-propylbenzenesulfonamide
CID 69368073
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
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-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 68580116
N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
CID 69367313
N-[(2R)-3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 45480715

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide (CID 69369500) is N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC[C@H](O)CN2CC(C)CC2C)c1.
What is the InChIKey of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide?
The InChIKey is HSAXTGMGCWQGOS-NRXISQOPSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-5-4-6-16(8-12)22(20,21)17-9-15(19)11-18-10-13(2)7-14(18)3/h4-6,8,13-15,17,19H,7,9-11H2,1-3H3/t13?,14?,15-/m0/s1.
What are the key properties of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide?
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.36, 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]-3-methylbenzenesulfonamide is sourced from PubChem (CID 69369500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).