(R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide

C12H21NO2S — CID 129150722

IUPAC(R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide
SMILES[2H][C@](CC)(N[S@](=O)C(C)(C)C)c1ccc(C)o1
InChIInChI=1S/C12H21NO2S/c1-6-10(11-8-7-9(2)15-11)13-16(14)12(3,4)5/h7-8,10,13H,6H2,1-5H3/t10-,16-/m1/s1/i10D
InChIKeyXXKMGMJRQQWSSJ-SQWHWNSCSA-N
MW244.38 g/mol
LogP3.09
Rot. Bonds4

About (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 129150722) has the molecular formula C12H21NO2S and a molecular weight of 244.38 g/mol. Its IUPAC name is (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID129150722
Molecular FormulaC12H21NO2S
Molecular Weight244.38 g/mol
Exact Mass244.14
IUPAC Name(R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide
SMILES[2H][C@](CC)(N[S@](=O)C(C)(C)C)c1ccc(C)o1
InChIInChI=1S/C12H21NO2S/c1-6-10(11-8-7-9(2)15-11)13-16(14)12(3,4)5/h7-8,10,13H,6H2,1-5H3/t10-,16-/m1/s1/i10D
InChIKeyXXKMGMJRQQWSSJ-SQWHWNSCSA-N
XLogP3.09
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide
CID 25132835
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
(R)-N-[(1S)-1-(furan-2-yl)propyl]-2-methylpropane-2-sulfinamide
CID 135000754
N,N-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 145352645
(R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide
CID 129155026
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
CID 67521466
N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide
CID 102254700
2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide
CID 69247044
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 99646735
2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115646640

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide (CID 129150722) is (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide is [2H][C@](CC)(N[S@](=O)C(C)(C)C)c1ccc(C)o1.
What is the InChIKey of (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is XXKMGMJRQQWSSJ-SQWHWNSCSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-6-10(11-8-7-9(2)15-11)13-16(14)12(3,4)5/h7-8,10,13H,6H2,1-5H3/t10-,16-/m1/s1/i10D.
What are the key properties of (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 244.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-deuterio-1-(5-methylfuran-2-yl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 129150722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).