N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide

C14H19F2NOS — CID 170449653

IUPACN-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](c1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C14H19F2NOS/c1-14(2,3)19(18)17-13(9-4-5-9)10-6-11(15)8-12(16)7-10/h6-9,13,17H,4-5H2,1-3H3/t13-,19?/m0/s1
InChIKeyZQNQMUAUMIPQPG-YTJLLHSVSA-N
MW287.38 g/mol
LogP3.47
Rot. Bonds4

About N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide

N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 170449653) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID170449653
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](c1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C14H19F2NOS/c1-14(2,3)19(18)17-13(9-4-5-9)10-6-11(15)8-12(16)7-10/h6-9,13,17H,4-5H2,1-3H3/t13-,19?/m0/s1
InChIKeyZQNQMUAUMIPQPG-YTJLLHSVSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-1-(3,5-difluorophenyl)-N-methylmethanamine;2-methylpropane-2-thiol
CID 170619298
(S)-N-[(3,3-difluorocyclobutyl)-(4-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide
CID 170945428
(S)-N-[(3-chloro-4-fluorophenyl)-[1-(1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methyl]-2-methylpropane-2-sulfinamide
CID 166114990
1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 64986686
(S)-N-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 118492083
4-[(tert-butylsulfinylamino)-phenylmethyl]piperidine-1-carboxylic acid
CID 66689672
(S)-N-[(1S)-1-(3,5-difluorophenyl)-4,4-dimethylhexyl]-2-methylpropane-2-sulfinamide
CID 58550622
[(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105301886
tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate
CID 171790965
(S)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 170592987
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
(R)-N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide
CID 118204288

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide (CID 170449653) is N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@H](c1cc(F)cc(F)c1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZQNQMUAUMIPQPG-YTJLLHSVSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-14(2,3)19(18)17-13(9-4-5-9)10-6-11(15)8-12(16)7-10/h6-9,13,17H,4-5H2,1-3H3/t13-,19?/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide?
N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 287.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(3,5-difluorophenyl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170449653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).