N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide

C19H26N2O3S — CID 10286974

IUPACN-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
SMILESCC1CCC(C)N1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H26N2O3S/c1-14-10-11-15(2)21(14)13-17(22)12-20-25(23,24)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,14-15,17,20,22H,10-13H2,1-2H3/t14?,15?,17-/m0/s1
InChIKeyGBQZPHGKWXWKET-DQPZFDDXSA-N
MW362.50 g/mol
LogP2.35
Rot. Bonds6

About N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide

N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide (PubChem CID 10286974) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
PubChem CID10286974
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
SMILESCC1CCC(C)N1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H26N2O3S/c1-14-10-11-15(2)21(14)13-17(22)12-20-25(23,24)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,14-15,17,20,22H,10-13H2,1-2H3/t14?,15?,17-/m0/s1
InChIKeyGBQZPHGKWXWKET-DQPZFDDXSA-N
XLogP2.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide (CID 10286974) is N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide is CC1CCC(C)N1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide?
The InChIKey is GBQZPHGKWXWKET-DQPZFDDXSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-14-10-11-15(2)21(14)13-17(22)12-20-25(23,24)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,14-15,17,20,22H,10-13H2,1-2H3/t14?,15?,17-/m0/s1.
What are the key properties of N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide?
N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10286974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).