(S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide

C18H23NOS — CID 68517751

IUPAC(S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide
SMILESCc1ccc([C@H](N[S@@](=O)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H23NOS/c1-14-10-12-16(13-11-14)17(15-8-6-5-7-9-15)19-21(20)18(2,3)4/h5-13,17,19H,1-4H3/t17-,21+/m1/s1
InChIKeyRBDGPASCSKSXMS-UTKZUKDTSA-N
MW301.46 g/mol
LogP4.14
Rot. Bonds4

About (S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide

(S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide (PubChem CID 68517751) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is (S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide
PubChem CID68517751
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name(S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide
SMILESCc1ccc([C@H](N[S@@](=O)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H23NOS/c1-14-10-12-16(13-11-14)17(15-8-6-5-7-9-15)19-21(20)18(2,3)4/h5-13,17,19H,1-4H3/t17-,21+/m1/s1
InChIKeyRBDGPASCSKSXMS-UTKZUKDTSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide (CID 68517751) is (S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide is Cc1ccc([C@H](N[S@@](=O)C(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of (S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide?
The InChIKey is RBDGPASCSKSXMS-UTKZUKDTSA-N. The full InChI is InChI=1S/C18H23NOS/c1-14-10-12-16(13-11-14)17(15-8-6-5-7-9-15)19-21(20)18(2,3)4/h5-13,17,19H,1-4H3/t17-,21+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide has a molecular weight of 301.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]propane-2-sulfinamide is sourced from PubChem (CID 68517751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).