(S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide

C15H24INOS — CID 124640307

IUPAC(S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)C[C@H](N[S@@](=O)C(C)(C)C)c1ccc(I)cc1
InChIInChI=1S/C15H24INOS/c1-11(2)10-14(17-19(18)15(3,4)5)12-6-8-13(16)9-7-12/h6-9,11,14,17H,10H2,1-5H3/t14-,19-/m0/s1
InChIKeyMBSXSUNLZWMHFT-LIRRHRJNSA-N
MW393.33 g/mol
LogP4.43
Rot. Bonds5

About (S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide (PubChem CID 124640307) has the molecular formula C15H24INOS and a molecular weight of 393.33 g/mol. Its IUPAC name is (S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
PubChem CID124640307
Molecular FormulaC15H24INOS
Molecular Weight393.33 g/mol
Exact Mass393.06
IUPAC Name(S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)C[C@H](N[S@@](=O)C(C)(C)C)c1ccc(I)cc1
InChIInChI=1S/C15H24INOS/c1-11(2)10-14(17-19(18)15(3,4)5)12-6-8-13(16)9-7-12/h6-9,11,14,17H,10H2,1-5H3/t14-,19-/m0/s1
InChIKeyMBSXSUNLZWMHFT-LIRRHRJNSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456
N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487457
N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
CID 53487467
(R)-N-[(1S,3R)-3-hydroxy-1-phenylpentyl]-2-methylpropane-2-sulfinamide
CID 11196850
N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 132574207
2-methyl-N-[(1R)-1-(4-methylphenyl)but-3-enyl]propane-2-sulfinamide
CID 101416898
(R)-N-[(1S)-1-(4-iodophenyl)-3-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 178061238
N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide
CID 118693312
(S)-N-[(1R)-1-(4-chlorophenyl)-3-fluorobut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093252
N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 118279654
2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide
CID 69247044
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide (CID 124640307) is (S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide is CC(C)C[C@H](N[S@@](=O)C(C)(C)C)c1ccc(I)cc1.
What is the InChIKey of (S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is MBSXSUNLZWMHFT-LIRRHRJNSA-N. The full InChI is InChI=1S/C15H24INOS/c1-11(2)10-14(17-19(18)15(3,4)5)12-6-8-13(16)9-7-12/h6-9,11,14,17H,10H2,1-5H3/t14-,19-/m0/s1.
What are the key properties of (S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 393.33 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 124640307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).