(1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine

C19H26N2O2S — CID 97232104

IUPAC(1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
SMILESCc1cccnc1[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C
InChIInChI=1S/C19H26N2O2S/c1-13(2)18(19-14(3)7-6-12-20-19)21-15(4)16-8-10-17(11-9-16)24(5,22)23/h6-13,15,18,21H,1-5H3/t15-,18+/m0/s1
InChIKeyHFWBNQGZRAPEAE-MAUKXSAKSA-N
MW346.50 g/mol
LogP3.84
Rot. Bonds6

About (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine

(1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine (PubChem CID 97232104) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
PubChem CID97232104
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name(1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
SMILESCc1cccnc1[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C
InChIInChI=1S/C19H26N2O2S/c1-13(2)18(19-14(3)7-6-12-20-19)21-15(4)16-8-10-17(11-9-16)24(5,22)23/h6-13,15,18,21H,1-5H3/t15-,18+/m0/s1
InChIKeyHFWBNQGZRAPEAE-MAUKXSAKSA-N
XLogP3.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-(3-methyl-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115752072
N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfonylbenzamide
CID 96550294
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43196698
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 134704423
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-nitropyridin-2-amine
CID 26437363
2-[1-(4-methylsulfonylphenyl)ethylsulfonyl]pyridine
CID 21438617
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398234
N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide
CID 131895144
4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 43095409
2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
CID 51257751
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
CID 94006047

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine?
The IUPAC name of (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine (CID 97232104) is (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine?
The canonical SMILES for (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine is Cc1cccnc1[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C.
What is the InChIKey of (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine?
The InChIKey is HFWBNQGZRAPEAE-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13(2)18(19-14(3)7-6-12-20-19)21-15(4)16-8-10-17(11-9-16)24(5,22)23/h6-13,15,18,21H,1-5H3/t15-,18+/m0/s1.
What are the key properties of (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine?
(1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine has a molecular weight of 346.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-(3-methyl-2-pyridinyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 97232104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).