(S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

C19H23FN2OS — CID 165138604

IUPAC(S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@H](c1ccccc1)c1ccc(C2CC2)c(F)n1
InChIInChI=1S/C19H23FN2OS/c1-19(2,3)24(23)22-17(14-7-5-4-6-8-14)16-12-11-15(13-9-10-13)18(20)21-16/h4-8,11-13,17,22H,9-10H2,1-3H3/t17-,24-/m0/s1
InChIKeyPNPXLOFXPWVYKY-XDHUDOTRSA-N
MW346.47 g/mol
LogP4.24
Rot. Bonds5

About (S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 165138604) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is (S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID165138604
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name(S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@@H](c1ccccc1)c1ccc(C2CC2)c(F)n1
InChIInChI=1S/C19H23FN2OS/c1-19(2,3)24(23)22-17(14-7-5-4-6-8-14)16-12-11-15(13-9-10-13)18(20)21-16/h4-8,11-13,17,22H,9-10H2,1-3H3/t17-,24-/m0/s1
InChIKeyPNPXLOFXPWVYKY-XDHUDOTRSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(5-cyclopropyl-6-fluoro-2-pyridinyl)-N-methyl-1-phenylmethanamine
CID 171097149
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500
(R)-N-[(S)-(3-amino-4-fluorophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 118355988
(2S,4R)-N-[(R)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-[(2-methylpyrimidin-4-yl)amino]acetyl]pyrrolidine-2-carboxamide
CID 165138423
N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139659
2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide
CID 102392141
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
(R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane
CID 90708102
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
(2S,4R)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-1-[2-[5-(difluoromethyl)-2,3-dihydro-1H-triazol-1-ium-4-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 165138332
1-[2-[amino-[(Z)-2-(propan-2-ylamino)ethenyl]amino]acetyl]-N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide
CID 171097572
N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-1-[2-[5-(difluoromethyl)pyrazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 165138587

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide (CID 165138604) is (S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@@H](c1ccccc1)c1ccc(C2CC2)c(F)n1.
What is the InChIKey of (S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is PNPXLOFXPWVYKY-XDHUDOTRSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-19(2,3)24(23)22-17(14-7-5-4-6-8-14)16-12-11-15(13-9-10-13)18(20)21-16/h4-8,11-13,17,22H,9-10H2,1-3H3/t17-,24-/m0/s1.
What are the key properties of (S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 346.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 165138604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).