(2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol

C19H29N3O4S — CID 42529111

IUPAC(2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol
SMILESCC(C)Cn1c(CN(C)C[C@@H](O)CO)cnc1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H29N3O4S/c1-15(2)10-22-17(11-21(3)12-18(24)13-23)9-20-19(22)27(25,26)14-16-7-5-4-6-8-16/h4-9,15,18,23-24H,10-14H2,1-3H3/t18-/m1/s1
InChIKeyRAMZFFIBKFERHB-GOSISDBHSA-N
MW395.53 g/mol
LogP1.30
Rot. Bonds10

About (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol

(2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol (PubChem CID 42529111) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol
PubChem CID42529111
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name(2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol
SMILESCC(C)Cn1c(CN(C)C[C@@H](O)CO)cnc1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H29N3O4S/c1-15(2)10-22-17(11-21(3)12-18(24)13-23)9-20-19(22)27(25,26)14-16-7-5-4-6-8-16/h4-9,15,18,23-24H,10-14H2,1-3H3/t18-/m1/s1
InChIKeyRAMZFFIBKFERHB-GOSISDBHSA-N
XLogP1.30
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol with MolForge

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Related Compounds

N-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 25286051
N-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 42288875
(1S)-N-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42513649
N-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
CID 29026509
[1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45250713
2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 83287398
3-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-propan-2-ylbutanamide
CID 83287392
2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 45223103
1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-4-methoxypiperidine
CID 42454774
(3R)-1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-3-methylpiperidine
CID 42098539
N-[[2-[(3-chlorophenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42824301
(1R,5S)-6-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-6-azabicyclo[3.2.1]octane
CID 25274645

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol?
The IUPAC name of (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol (CID 42529111) is (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol is CC(C)Cn1c(CN(C)C[C@@H](O)CO)cnc1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol?
The InChIKey is RAMZFFIBKFERHB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-15(2)10-22-17(11-21(3)12-18(24)13-23)9-20-19(22)27(25,26)14-16-7-5-4-6-8-16/h4-9,15,18,23-24H,10-14H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol?
(2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol has a molecular weight of 395.53 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 42529111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).