(S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide

C10H20F3NOS — CID 164536658

IUPAC(S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide
SMILESCC[C@H](CCC(F)(F)F)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H20F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h8,14H,5-7H2,1-4H3/t8-,16+/m1/s1
InChIKeySNYRQNXQIWOLDP-BCTVWOGZSA-N
MW259.34 g/mol
LogP3.16
Rot. Bonds5

About (S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide (PubChem CID 164536658) has the molecular formula C10H20F3NOS and a molecular weight of 259.34 g/mol. Its IUPAC name is (S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide
PubChem CID164536658
Molecular FormulaC10H20F3NOS
Molecular Weight259.34 g/mol
Exact Mass259.12
IUPAC Name(S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide
SMILESCC[C@H](CCC(F)(F)F)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H20F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h8,14H,5-7H2,1-4H3/t8-,16+/m1/s1
InChIKeySNYRQNXQIWOLDP-BCTVWOGZSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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CID 87159616

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide (CID 164536658) is (S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide is CC[C@H](CCC(F)(F)F)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide?
The InChIKey is SNYRQNXQIWOLDP-BCTVWOGZSA-N. The full InChI is InChI=1S/C10H20F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h8,14H,5-7H2,1-4H3/t8-,16+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide has a molecular weight of 259.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 164536658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).