(S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide

C10H21F2NOS — CID 164536336

IUPAC(S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](CCC(F)F)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H21F2NOS/c1-5-8(6-7-9(11)12)13-15(14)10(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,15+/m1/s1
InChIKeyRPVSFTNXZCFLDX-GLEZIHRCSA-N
MW241.35 g/mol
LogP2.86
Rot. Bonds6

About (S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 164536336) has the molecular formula C10H21F2NOS and a molecular weight of 241.35 g/mol. Its IUPAC name is (S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID164536336
Molecular FormulaC10H21F2NOS
Molecular Weight241.35 g/mol
Exact Mass241.13
IUPAC Name(S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](CCC(F)F)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H21F2NOS/c1-5-8(6-7-9(11)12)13-15(14)10(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,15+/m1/s1
InChIKeyRPVSFTNXZCFLDX-GLEZIHRCSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide (CID 164536336) is (S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide is CC[C@H](CCC(F)F)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is RPVSFTNXZCFLDX-GLEZIHRCSA-N. The full InChI is InChI=1S/C10H21F2NOS/c1-5-8(6-7-9(11)12)13-15(14)10(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,15+/m1/s1.
What are the key properties of (S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 241.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 164536336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).