(2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine

C15H24N2O2S — CID 167972158

IUPAC(2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine
SMILESCC(C)Cc1ccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cn1
InChIInChI=1S/C15H24N2O2S/c1-11(2)8-14-5-4-13(9-16-14)10-17-15-6-7-20(18,19)12(15)3/h4-5,9,11-12,15,17H,6-8,10H2,1-3H3/t12-,15-/m1/s1
InChIKeySMRITYCOTJHEGA-IUODEOHRSA-N
MW296.44 g/mol
LogP1.95
Rot. Bonds5

About (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine

(2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine (PubChem CID 167972158) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine
PubChem CID167972158
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine
SMILESCC(C)Cc1ccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cn1
InChIInChI=1S/C15H24N2O2S/c1-11(2)8-14-5-4-13(9-16-14)10-17-15-6-7-20(18,19)12(15)3/h4-5,9,11-12,15,17H,6-8,10H2,1-3H3/t12-,15-/m1/s1
InChIKeySMRITYCOTJHEGA-IUODEOHRSA-N
XLogP1.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

trans-(1R,2R)-2-[[6-(2-methylpropyl)-3-pyridinyl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 154803195
[6-(2-methylpropyl)-3-pyridinyl]methanamine
CID 53274665
1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 105168878
N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 62996716
N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide
CID 154770803
2-ethyl-5-(2-methylpropyl)pyridine
CID 126548709
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
5-cyclohexyloxy-2-(2-methylpropyl)pyridine
CID 178141183
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 79748669
[2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233105
2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine
CID 154780977
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281754

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine (CID 167972158) is (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine is CC(C)Cc1ccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cn1.
What is the InChIKey of (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is SMRITYCOTJHEGA-IUODEOHRSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)8-14-5-4-13(9-16-14)10-17-15-6-7-20(18,19)12(15)3/h4-5,9,11-12,15,17H,6-8,10H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine?
(2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 296.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-N-[[6-(2-methylpropyl)-3-pyridinyl]methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 167972158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).