(R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide

C16H25NOS — CID 90347560

IUPAC(R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1ccc(C2(C)CC2)cc1
InChIInChI=1S/C16H25NOS/c1-12(17-19(18)15(2,3)4)13-6-8-14(9-7-13)16(5)10-11-16/h6-9,12,17H,10-11H2,1-5H3/t12-,19+/m0/s1
InChIKeyAIXCJOMOKBPYOX-HXPMCKFVSA-N
MW279.45 g/mol
LogP3.85
Rot. Bonds4

About (R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide (PubChem CID 90347560) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide
PubChem CID90347560
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name(R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1ccc(C2(C)CC2)cc1
InChIInChI=1S/C16H25NOS/c1-12(17-19(18)15(2,3)4)13-6-8-14(9-7-13)16(5)10-11-16/h6-9,12,17H,10-11H2,1-5H3/t12-,19+/m0/s1
InChIKeyAIXCJOMOKBPYOX-HXPMCKFVSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide (CID 90347560) is (R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1ccc(C2(C)CC2)cc1.
What is the InChIKey of (R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide?
The InChIKey is AIXCJOMOKBPYOX-HXPMCKFVSA-N. The full InChI is InChI=1S/C16H25NOS/c1-12(17-19(18)15(2,3)4)13-6-8-14(9-7-13)16(5)10-11-16/h6-9,12,17H,10-11H2,1-5H3/t12-,19+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide has a molecular weight of 279.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 90347560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).