N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide

C11H22FNO3S — CID 142137613

IUPACN-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide
SMILESCCC(=O)NCCSC(O)[C@H](C)[C@H](O)CCF
InChIInChI=1S/C11H22FNO3S/c1-3-10(15)13-6-7-17-11(16)8(2)9(14)4-5-12/h8-9,11,14,16H,3-7H2,1-2H3,(H,13,15)/t8-,9-,11?/m1/s1
InChIKeyTYNPEQQUCIWKSR-RUZZIDMASA-N
MW267.37 g/mol
LogP0.92
Rot. Bonds9

About N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide

N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide (PubChem CID 142137613) has the molecular formula C11H22FNO3S and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide
PubChem CID142137613
Molecular FormulaC11H22FNO3S
Molecular Weight267.37 g/mol
Exact Mass267.13
IUPAC NameN-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide
SMILESCCC(=O)NCCSC(O)[C@H](C)[C@H](O)CCF
InChIInChI=1S/C11H22FNO3S/c1-3-10(15)13-6-7-17-11(16)8(2)9(14)4-5-12/h8-9,11,14,16H,3-7H2,1-2H3,(H,13,15)/t8-,9-,11?/m1/s1
InChIKeyTYNPEQQUCIWKSR-RUZZIDMASA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide?
The IUPAC name of N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide (CID 142137613) is N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide.
What is the SMILES notation for N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide?
The canonical SMILES for N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide is CCC(=O)NCCSC(O)[C@H](C)[C@H](O)CCF.
What is the InChIKey of N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide?
The InChIKey is TYNPEQQUCIWKSR-RUZZIDMASA-N. The full InChI is InChI=1S/C11H22FNO3S/c1-3-10(15)13-6-7-17-11(16)8(2)9(14)4-5-12/h8-9,11,14,16H,3-7H2,1-2H3,(H,13,15)/t8-,9-,11?/m1/s1.
What are the key properties of N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide?
N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide has a molecular weight of 267.37 g/mol, XLogP of 0.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,3R)-5-fluoro-1,3-dihydroxy-2-methylpentyl]sulfanylethyl]propanamide is sourced from PubChem (CID 142137613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).