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

C10H16FN3OS — CID 66623763

IUPAC(2R)-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?/m1/s1
InChIKeyFSEHMCWURRXGJH-PIFIWIIXSA-N
MW245.32 g/mol
LogP1.73
Rot. Bonds5

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

(2R)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide (PubChem CID 66623763) has the molecular formula C10H16FN3OS and a molecular weight of 245.32 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide
PubChem CID66623763
Molecular FormulaC10H16FN3OS
Molecular Weight245.32 g/mol
Exact Mass245.10
IUPAC Name(2R)-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?/m1/s1
InChIKeyFSEHMCWURRXGJH-PIFIWIIXSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide?
The IUPAC name of (2R)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide (CID 66623763) is (2R)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide?
The canonical SMILES for (2R)-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 (2R)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide?
The InChIKey is FSEHMCWURRXGJH-PIFIWIIXSA-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?/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide?
(2R)-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 (2R)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]butane-2-sulfinamide is sourced from PubChem (CID 66623763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).