(2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide

C10H16FN3OS — CID 66624420

IUPAC(2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide
SMILESCC[C@H](C)S(=O)N[C@@H](C)c1ncc(F)cn1
InChIInChI=1S/C10H16FN3OS/c1-4-7(2)16(15)14-8(3)10-12-5-9(11)6-13-10/h5-8,14H,4H2,1-3H3/t7-,8-,16?/m0/s1
InChIKeyFSEHMCWURRXGJH-UBJYMUIPSA-N
MW245.32 g/mol
LogP1.73
Rot. Bonds5

About (2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide

(2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide (PubChem CID 66624420) has the molecular formula C10H16FN3OS and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide
PubChem CID66624420
Molecular FormulaC10H16FN3OS
Molecular Weight245.32 g/mol
Exact Mass245.10
IUPAC Name(2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide
SMILESCC[C@H](C)S(=O)N[C@@H](C)c1ncc(F)cn1
InChIInChI=1S/C10H16FN3OS/c1-4-7(2)16(15)14-8(3)10-12-5-9(11)6-13-10/h5-8,14H,4H2,1-3H3/t7-,8-,16?/m0/s1
InChIKeyFSEHMCWURRXGJH-UBJYMUIPSA-N
XLogP1.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Fluoropyrimidin-2-yl)ethan-1-amine hydrochloride
CID 53407050
(R)-1-(5-Fluoro-pyrimidin-2-yl)-ethylamine hydrochloride
CID 67123856
1-(5-Fluoropyrimidin-2-yl)ethan-1-amine
CID 50994814
(S)-1-(5-Fluoropyrimidin-2-YL)ethanamine
CID 55285341
N-[3-[[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]amino]propyl]ethanesulfonamide
CID 132312827
N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide
CID 66623762
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-(2R)-methylpropane-2-sulfinamide
CID 66623763
N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 66624389
2-Methyl-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}propane-2-sulfinamide
CID 66661445
2-methyl-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 66697944
(R)-1-(5-Fluoropyrimidin-2-YL)ethanamine
CID 67123857
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]propan-2-amine
CID 89274418

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide?
The IUPAC name of (2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide (CID 66624420) is (2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide?
The canonical SMILES for (2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide is CC[C@H](C)S(=O)N[C@@H](C)c1ncc(F)cn1.
What is the InChIKey of (2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide?
The InChIKey is FSEHMCWURRXGJH-UBJYMUIPSA-N. The full InChI is InChI=1S/C10H16FN3OS/c1-4-7(2)16(15)14-8(3)10-12-5-9(11)6-13-10/h5-8,14H,4H2,1-3H3/t7-,8-,16?/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide?
(2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide has a molecular weight of 245.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide is sourced from PubChem (CID 66624420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).