(S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide

C18H24FNO2S — CID 134541439

IUPAC(S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=C(c1ccc(F)c(OCC2CC2)c1)C1CC1
InChIInChI=1S/C18H24FNO2S/c1-18(2,3)23(21)20-17(13-6-7-13)14-8-9-15(19)16(10-14)22-11-12-4-5-12/h8-10,12-13H,4-7,11H2,1-3H3/t23-/m0/s1
InChIKeyRYVVERSJBMTZCL-QHCPKHFHSA-N
MW337.46 g/mol
LogP4.28
Rot. Bonds6

About (S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide

(S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 134541439) has the molecular formula C18H24FNO2S and a molecular weight of 337.46 g/mol. Its IUPAC name is (S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID134541439
Molecular FormulaC18H24FNO2S
Molecular Weight337.46 g/mol
Exact Mass337.15
IUPAC Name(S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=C(c1ccc(F)c(OCC2CC2)c1)C1CC1
InChIInChI=1S/C18H24FNO2S/c1-18(2,3)23(21)20-17(13-6-7-13)14-8-9-15(19)16(10-14)22-11-12-4-5-12/h8-10,12-13H,4-7,11H2,1-3H3/t23-/m0/s1
InChIKeyRYVVERSJBMTZCL-QHCPKHFHSA-N
XLogP4.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(S)-N-[1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 154505277
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896
2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide
CID 167358601
2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene
CID 131315534
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
CID 142360414
2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84702232
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651120
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
CID 70910103
1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one
CID 161120964
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422

Frequently Asked Questions

What is the IUPAC name of (S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide (CID 134541439) is (S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N=C(c1ccc(F)c(OCC2CC2)c1)C1CC1.
What is the InChIKey of (S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is RYVVERSJBMTZCL-QHCPKHFHSA-N. The full InChI is InChI=1S/C18H24FNO2S/c1-18(2,3)23(21)20-17(13-6-7-13)14-8-9-15(19)16(10-14)22-11-12-4-5-12/h8-10,12-13H,4-7,11H2,1-3H3/t23-/m0/s1.
What are the key properties of (S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide?
(S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 337.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[cyclopropyl-[3-(cyclopropylmethoxy)-4-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134541439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).