(2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine

C15H21N3O2S — CID 99795716

IUPAC(2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine
SMILESC[C@@H](CS(C)(=O)=O)N(C)Cc1nccn1-c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-13(12-21(3,19)20)17(2)11-15-16-9-10-18(15)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3/t13-/m0/s1
InChIKeyHUMXGKZUOBDIGN-ZDUSSCGKSA-N
MW307.42 g/mol
LogP1.74
Rot. Bonds6

About (2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine

(2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine (PubChem CID 99795716) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine
PubChem CID99795716
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine
SMILESC[C@@H](CS(C)(=O)=O)N(C)Cc1nccn1-c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-13(12-21(3,19)20)17(2)11-15-16-9-10-18(15)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3/t13-/m0/s1
InChIKeyHUMXGKZUOBDIGN-ZDUSSCGKSA-N
XLogP1.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine (CID 99795716) is (2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine is C[C@@H](CS(C)(=O)=O)N(C)Cc1nccn1-c1ccccc1.
What is the InChIKey of (2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is HUMXGKZUOBDIGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-13(12-21(3,19)20)17(2)11-15-16-9-10-18(15)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine?
(2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 307.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 99795716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).