(3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine

C23H24N4O2S — CID 25117677

IUPAC(3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1
InChIInChI=1S/C23H24N4O2S/c1-26(2)18-12-13-27(15-18)17-10-11-21-20(14-17)23(25-24-21)30(28,29)22-9-5-7-16-6-3-4-8-19(16)22/h3-11,14,18H,12-13,15H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKeyADEIHMYSULIEAK-SFHVURJKSA-N
MW420.54 g/mol
LogP3.69
Rot. Bonds4

About (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine

(3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine (PubChem CID 25117677) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine
PubChem CID25117677
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name(3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1
InChIInChI=1S/C23H24N4O2S/c1-26(2)18-12-13-27(15-18)17-10-11-21-20(14-17)23(25-24-21)30(28,29)22-9-5-7-16-6-3-4-8-19(16)22/h3-11,14,18H,12-13,15H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKeyADEIHMYSULIEAK-SFHVURJKSA-N
XLogP3.69
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine (CID 25117677) is (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine is CN(C)[C@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine?
The InChIKey is ADEIHMYSULIEAK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-26(2)18-12-13-27(15-18)17-10-11-21-20(14-17)23(25-24-21)30(28,29)22-9-5-7-16-6-3-4-8-19(16)22/h3-11,14,18H,12-13,15H2,1-2H3,(H,24,25)/t18-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine?
(3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine has a molecular weight of 420.54 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 25117677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).