N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine

C22H30N2O2S — CID 53465412

IUPACN,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine
SMILESCC(C)CN(C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-18(2)16-23(3)17-19-10-12-20(13-11-19)21-8-4-5-9-22(21)27(25,26)24-14-6-7-15-24/h4-5,8-13,18H,6-7,14-17H2,1-3H3
InChIKeyHWXVHNVQBIRMDV-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.23
Rot. Bonds7

About N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine

N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 53465412) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine
PubChem CID53465412
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine
SMILESCC(C)CN(C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H30N2O2S/c1-18(2)16-23(3)17-19-10-12-20(13-11-19)21-8-4-5-9-22(21)27(25,26)24-14-6-7-15-24/h4-5,8-13,18H,6-7,14-17H2,1-3H3
InChIKeyHWXVHNVQBIRMDV-UHFFFAOYSA-N
XLogP4.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine with MolForge

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Related Compounds

Pf-04455242
CID 44599828
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CID 24886136
4-Methyl-1-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]piperidin-4-ol
CID 44599826
2-(4-Fluorophenyl)-1-tosylpyrrolidine
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Methyl[2-(4-methylphenyl)-4-(4-phenylpiperidyl)butyl](phenylsulfonyl)amine
CID 479865
N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide
CID 3763575
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-propylbenzenesulfonamide
CID 24885663
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-propan-2-ylbenzenesulfonamide
CID 24885664
N,N-diethyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886133
N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886138
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886366

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine (CID 53465412) is N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine is CC(C)CN(C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is HWXVHNVQBIRMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-18(2)16-23(3)17-19-10-12-20(13-11-19)21-8-4-5-9-22(21)27(25,26)24-14-6-7-15-24/h4-5,8-13,18H,6-7,14-17H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine?
N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 386.56 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 53465412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).