(2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide

C11H17N3O3S — CID 134541158

IUPAC(2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide
SMILESC=CCOC[C@H](Cc1ncc(C)cn1)S(N)(=O)=O
InChIInChI=1S/C11H17N3O3S/c1-3-4-17-8-10(18(12,15)16)5-11-13-6-9(2)7-14-11/h3,6-7,10H,1,4-5,8H2,2H3,(H2,12,15,16)/t10-/m0/s1
InChIKeyAYFKTAXESNUGGC-JTQLQIEISA-N
MW271.34 g/mol
LogP0.19
Rot. Bonds7

About (2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide

(2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide (PubChem CID 134541158) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide
PubChem CID134541158
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name(2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide
SMILESC=CCOC[C@H](Cc1ncc(C)cn1)S(N)(=O)=O
InChIInChI=1S/C11H17N3O3S/c1-3-4-17-8-10(18(12,15)16)5-11-13-6-9(2)7-14-11/h3,6-7,10H,1,4-5,8H2,2H3,(H2,12,15,16)/t10-/m0/s1
InChIKeyAYFKTAXESNUGGC-JTQLQIEISA-N
XLogP0.19
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide?
The IUPAC name of (2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide (CID 134541158) is (2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide.
What is the SMILES notation for (2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide?
The canonical SMILES for (2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide is C=CCOC[C@H](Cc1ncc(C)cn1)S(N)(=O)=O.
What is the InChIKey of (2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide?
The InChIKey is AYFKTAXESNUGGC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-4-17-8-10(18(12,15)16)5-11-13-6-9(2)7-14-11/h3,6-7,10H,1,4-5,8H2,2H3,(H2,12,15,16)/t10-/m0/s1.
What are the key properties of (2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide?
(2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide is sourced from PubChem (CID 134541158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).