N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide

C11H19F2NOS — CID 163279099

IUPACN-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CCC(NS(=O)C(C)(C)C)C1CC1(F)F
InChIInChI=1S/C11H19F2NOS/c1-5-6-9(8-7-11(8,12)13)14-16(15)10(2,3)4/h5,8-9,14H,1,6-7H2,2-4H3
InChIKeyJUFHEBDJJYPZPA-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.64
Rot. Bonds5

About N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide

N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 163279099) has the molecular formula C11H19F2NOS and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide
PubChem CID163279099
Molecular FormulaC11H19F2NOS
Molecular Weight251.34 g/mol
Exact Mass251.12
IUPAC NameN-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CCC(NS(=O)C(C)(C)C)C1CC1(F)F
InChIInChI=1S/C11H19F2NOS/c1-5-6-9(8-7-11(8,12)13)14-16(15)10(2,3)4/h5,8-9,14H,1,6-7H2,2-4H3
InChIKeyJUFHEBDJJYPZPA-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.64
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

2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide
CID 163278233
(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
2-methyl-N-(7,7,7-trifluoro-3-methylhept-1-en-4-yl)propane-2-sulfinamide
CID 163278730
(S)-2-methyl-N-[(3S)-6,6,6-trifluorohex-1-en-3-yl]propane-2-sulfinamide
CID 163278856
(R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide
CID 163279084
2-methyl-N-(1,1,1-trifluorohex-5-en-3-yl)propane-2-sulfinamide
CID 167047179
2-methyl-N-(1,1,1-trifluorooct-7-en-4-yl)propane-2-sulfinamide
CID 167047180
2-methyl-N-[(3R)-1,1,1-trifluorohex-5-en-3-yl]propane-2-sulfinamide
CID 167047187
2-methyl-N-[(3S)-6,6,6-trifluorohex-1-en-3-yl]propane-2-sulfinamide
CID 167047216

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide (CID 163279099) is N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide is C=CCC(NS(=O)C(C)(C)C)C1CC1(F)F.
What is the InChIKey of N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is JUFHEBDJJYPZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NOS/c1-5-6-9(8-7-11(8,12)13)14-16(15)10(2,3)4/h5,8-9,14H,1,6-7H2,2-4H3.
What are the key properties of N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide?
N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 251.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163279099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).