(R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide

C15H29N3OS — CID 163419422

IUPAC(R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide
SMILESCc1nc([C@H](C)N[S@](=O)C(C)(C)C)cn1CCC(C)C
InChIInChI=1S/C15H29N3OS/c1-11(2)8-9-18-10-14(16-13(18)4)12(3)17-20(19)15(5,6)7/h10-12,17H,8-9H2,1-7H3/t12-,20+/m0/s1
InChIKeyAHDYEOLOTFOICO-FKIZINRSSA-N
MW299.48 g/mol
LogP3.35
Rot. Bonds6

About (R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide (PubChem CID 163419422) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide
PubChem CID163419422
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name(R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide
SMILESCc1nc([C@H](C)N[S@](=O)C(C)(C)C)cn1CCC(C)C
InChIInChI=1S/C15H29N3OS/c1-11(2)8-9-18-10-14(16-13(18)4)12(3)17-20(19)15(5,6)7/h10-12,17H,8-9H2,1-7H3/t12-,20+/m0/s1
InChIKeyAHDYEOLOTFOICO-FKIZINRSSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide (CID 163419422) is (R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide is Cc1nc([C@H](C)N[S@](=O)C(C)(C)C)cn1CCC(C)C.
What is the InChIKey of (R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide?
The InChIKey is AHDYEOLOTFOICO-FKIZINRSSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-11(2)8-9-18-10-14(16-13(18)4)12(3)17-20(19)15(5,6)7/h10-12,17H,8-9H2,1-7H3/t12-,20+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide has a molecular weight of 299.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-1-[2-methyl-1-(3-methylbutyl)imidazol-4-yl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 163419422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).