(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide

C11H20F3NOS — CID 163278233

IUPAC(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide
SMILESC=CC[C@H](CCC(F)(F)F)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C11H20F3NOS/c1-5-6-9(7-8-11(12,13)14)15-17(16)10(2,3)4/h5,9,15H,1,6-8H2,2-4H3/t9-,17+/m1/s1
InChIKeyFDZSQKJKMJXANC-XLFHBGCDSA-N
MW271.35 g/mol
LogP3.33
Rot. Bonds6

About (S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide (PubChem CID 163278233) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is (S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide
PubChem CID163278233
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide
SMILESC=CC[C@H](CCC(F)(F)F)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C11H20F3NOS/c1-5-6-9(7-8-11(12,13)14)15-17(16)10(2,3)4/h5,9,15H,1,6-8H2,2-4H3/t9-,17+/m1/s1
InChIKeyFDZSQKJKMJXANC-XLFHBGCDSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 134857549
2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
(S)-2-methyl-N-[(2S)-1,1,1-trifluorobut-3-en-2-yl]propane-2-sulfinamide
CID 11615546
2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 101399060
(R)-2-methyl-N-[(2R)-1,1,1-trifluorobut-3-en-2-yl]propane-2-sulfinamide
CID 140156780
(S)-2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-1-sulfinamide
CID 140188151
N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide
CID 140762676
(R)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278136
(S)-2-methyl-N-[(4R)-1,1,1-trifluorooct-7-en-4-yl]propane-2-sulfinamide
CID 163278360
(S)-2-methyl-N-[(3R)-1,1,1-trifluorohex-5-en-3-yl]propane-2-sulfinamide
CID 163278402
N-[1-(3,3-difluorocyclobutyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 163278486
(S)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278607

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide (CID 163278233) is (S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide is C=CC[C@H](CCC(F)(F)F)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide?
The InChIKey is FDZSQKJKMJXANC-XLFHBGCDSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-5-6-9(7-8-11(12,13)14)15-17(16)10(2,3)4/h5,9,15H,1,6-8H2,2-4H3/t9-,17+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide has a molecular weight of 271.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 163278233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).