(R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide

C13H22ClNO2S — CID 129155026

IUPAC(R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)o1
InChIInChI=1S/C13H22ClNO2S/c1-12(2,3)11(9-7-8-10(14)17-9)15-18(16)13(4,5)6/h7-8,11,15H,1-6H3/t11-,18+/m0/s1
InChIKeyWQYJFCZWELCHOB-BBATYDOGSA-N
MW291.84 g/mol
LogP4.07
Rot. Bonds3

About (R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide (PubChem CID 129155026) has the molecular formula C13H22ClNO2S and a molecular weight of 291.84 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide
PubChem CID129155026
Molecular FormulaC13H22ClNO2S
Molecular Weight291.84 g/mol
Exact Mass291.11
IUPAC Name(R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[C@@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)o1
InChIInChI=1S/C13H22ClNO2S/c1-12(2,3)11(9-7-8-10(14)17-9)15-18(16)13(4,5)6/h7-8,11,15H,1-6H3/t11-,18+/m0/s1
InChIKeyWQYJFCZWELCHOB-BBATYDOGSA-N
XLogP4.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide (CID 129155026) is (R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[C@@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)o1.
What is the InChIKey of (R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
The InChIKey is WQYJFCZWELCHOB-BBATYDOGSA-N. The full InChI is InChI=1S/C13H22ClNO2S/c1-12(2,3)11(9-7-8-10(14)17-9)15-18(16)13(4,5)6/h7-8,11,15H,1-6H3/t11-,18+/m0/s1.
What are the key properties of (R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide has a molecular weight of 291.84 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 129155026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).